2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yltetrazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene

C134H228N20O4S3 — CID 158446697

IUPAC2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yltetrazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene
SMILESCC(C)c1nnnn1C.Cc1c(C(C)C)c(C)n(C)c1C.Cc1c(C(C)C)nn(C)c1C.Cc1c(C)c(C(C)C)n(C)c1C.Cc1nc(C(C)C)c(C)o1.Cc1nc(C(C)C)n(C)c1C.Cc1nc(C(C)C)oc1C.Cc1nc(C(C)C)sc1C.Cc1nc(C)n(C)c1C(C)C.Cc1nn(C)c(C(C)C)c1C.Cc1nnn(C)c1C(C)C.Cc1oc(C(C)C)c(C)c1C.Cc1oc(C)c(C(C)C)c1C.Cc1sc(C(C)C)c(C)c1C.Cc1sc(C)c(C(C)C)c1C
InChIInChI=1S/2C11H19N.2C10H16O.2C10H16S.4C9H16N2.2C8H13NO.C8H13NS.C7H13N3.C5H10N4/c1-7(2)11-8(3)9(4)12(6)10(11)5;1-7(2)11-9(4)8(3)10(5)12(11)6;1-6(2)10-7(3)8(4)11-9(10)5;1-6(2)10-8(4)7(3)9(5)11-10;1-6(2)10-7(3)8(4)11-9(10)5;1-6(2)10-8(4)7(3)9(5)11-10;1-6(2)9-7(3)10-8(4)11(9)5;1-6(2)9-10-7(3)8(4)11(9)5;1-6(2)9-7(3)8(4)11(5)10-9;1-6(2)9-7(3)8(4)10-11(9)5;1-5(2)8-6(3)10-7(4)9-8;2*1-5(2)8-9-6(3)7(4)10-8;1-5(2)7-6(3)8-9-10(7)4;1-4(2)5-6-7-8-9(5)3/h2*7H,1-6H3;8*6H,1-5H3;4*5H,1-4H3;4H,1-3H3
InChIKeyHDMBLJKFGXCOOA-UHFFFAOYSA-N
MW2279.63 g/mol
LogP38.33
Rot. Bonds15

About 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yltetrazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene

2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yltetrazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene (PubChem CID 158446697) has the molecular formula C134H228N20O4S3 and a molecular weight of 2279.63 g/mol. Its IUPAC name is 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yltetrazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene.

Molecular Properties

Compound Name2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yltetrazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene
PubChem CID158446697
Molecular FormulaC134H228N20O4S3
Molecular Weight2279.63 g/mol
Exact Mass2277.74
IUPAC Name2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yltetrazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene
SMILESCC(C)c1nnnn1C.Cc1c(C(C)C)c(C)n(C)c1C.Cc1c(C(C)C)nn(C)c1C.Cc1c(C)c(C(C)C)n(C)c1C.Cc1nc(C(C)C)c(C)o1.Cc1nc(C(C)C)n(C)c1C.Cc1nc(C(C)C)oc1C.Cc1nc(C(C)C)sc1C.Cc1nc(C)n(C)c1C(C)C.Cc1nn(C)c(C(C)C)c1C.Cc1nnn(C)c1C(C)C.Cc1oc(C(C)C)c(C)c1C.Cc1oc(C)c(C(C)C)c1C.Cc1sc(C(C)C)c(C)c1C.Cc1sc(C)c(C(C)C)c1C
InChIInChI=1S/2C11H19N.2C10H16O.2C10H16S.4C9H16N2.2C8H13NO.C8H13NS.C7H13N3.C5H10N4/c1-7(2)11-8(3)9(4)12(6)10(11)5;1-7(2)11-9(4)8(3)10(5)12(11)6;1-6(2)10-7(3)8(4)11-9(10)5;1-6(2)10-8(4)7(3)9(5)11-10;1-6(2)10-7(3)8(4)11-9(10)5;1-6(2)10-8(4)7(3)9(5)11-10;1-6(2)9-7(3)10-8(4)11(9)5;1-6(2)9-10-7(3)8(4)11(9)5;1-6(2)9-7(3)8(4)11(5)10-9;1-6(2)9-7(3)8(4)10-11(9)5;1-5(2)8-6(3)10-7(4)9-8;2*1-5(2)8-9-6(3)7(4)10-8;1-5(2)7-6(3)8-9-10(7)4;1-4(2)5-6-7-8-9(5)3/h2*7H,1-6H3;8*6H,1-5H3;4*5H,1-4H3;4H,1-3H3
InChIKeyHDMBLJKFGXCOOA-UHFFFAOYSA-N
XLogP38.33
TPSA246.68 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds15
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002279.63
LogP ≤ 538.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yltetrazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yltetrazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene?
The IUPAC name of 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yltetrazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene (CID 158446697) is 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yltetrazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene.
What is the SMILES notation for 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yltetrazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene?
The canonical SMILES for 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yltetrazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene is CC(C)c1nnnn1C.Cc1c(C(C)C)c(C)n(C)c1C.Cc1c(C(C)C)nn(C)c1C.Cc1c(C)c(C(C)C)n(C)c1C.Cc1nc(C(C)C)c(C)o1.Cc1nc(C(C)C)n(C)c1C.Cc1nc(C(C)C)oc1C.Cc1nc(C(C)C)sc1C.Cc1nc(C)n(C)c1C(C)C.Cc1nn(C)c(C(C)C)c1C.Cc1nnn(C)c1C(C)C.Cc1oc(C(C)C)c(C)c1C.Cc1oc(C)c(C(C)C)c1C.Cc1sc(C(C)C)c(C)c1C.Cc1sc(C)c(C(C)C)c1C.
What is the InChIKey of 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yltetrazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene?
The InChIKey is HDMBLJKFGXCOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H19N.2C10H16O.2C10H16S.4C9H16N2.2C8H13NO.C8H13NS.C7H13N3.C5H10N4/c1-7(2)11-8(3)9(4)12(6)10(11)5;1-7(2)11-9(4)8(3)10(5)12(11)6;1-6(2)10-7(3)8(4)11-9(10)5;1-6(2)10-8(4)7(3)9(5)11-10;1-6(2)10-7(3)8(4)11-9(10)5;1-6(2)10-8(4)7(3)9(5)11-10;1-6(2)9-7(3)10-8(4)11(9)5;1-6(2)9-10-7(3)8(4)11(9)5;1-6(2)9-7(3)8(4)11(5)10-9;1-6(2)9-7(3)8(4)10-11(9)5;1-5(2)8-6(3)10-7(4)9-8;2*1-5(2)8-9-6(3)7(4)10-8;1-5(2)7-6(3)8-9-10(7)4;1-4(2)5-6-7-8-9(5)3/h2*7H,1-6H3;8*6H,1-5H3;4*5H,1-4H3;4H,1-3H3.
What are the key properties of 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yltetrazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene?
2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yltetrazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene has a molecular weight of 2279.63 g/mol, XLogP of 38.33, 15 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yltetrazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene is sourced from PubChem (CID 158446697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).