3,4-dimethyl-5-propan-2-yl-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol

C107H145N21O9S6 — CID 160535193

IUPAC3,4-dimethyl-5-propan-2-yl-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol
SMILESCC(C)c1cnn(C)c1.CC(C)c1nnc(-c2cccc(O)c2)s1.CC(C)c1nnc(-c2ccccc2)s1.CC(C)c1nnc(-c2ccccn2)s1.CC(C)c1nnc(-c2cccnc2)s1.CCOC(=O)c1cc(C(C)C)on1.CCc1cc(C(C)C)on1.COCc1cc(C(C)C)on1.Cc1ccc(-c2nnc(C(C)C)s2)cn1.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1.Cc1noc(C(C)C)c1C
InChIInChI=1S/C11H13N3S.C11H12N2OS.C11H12N2S.2C10H11N3S.C9H13NO3.C8H13NO2.2C8H13NO.C7H12N2.C7H11NO.C7H11NS/c1-7(2)10-13-14-11(15-10)9-5-4-8(3)12-6-9;1-7(2)10-12-13-11(15-10)8-4-3-5-9(14)6-8;1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9;1-7(2)9-12-13-10(14-9)8-4-3-5-11-6-8;1-7(2)9-12-13-10(14-9)8-5-3-4-6-11-8;1-4-12-9(11)7-5-8(6(2)3)13-10-7;1-6(2)8-4-7(5-10-3)9-11-8;1-5(2)8-6(3)7(4)9-10-8;1-4-7-5-8(6(2)3)10-9-7;1-6(2)7-4-8-9(3)5-7;2*1-5(2)7-4-8-6(3)9-7/h4-7H,1-3H3;3-7,14H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;5H,1-4H3;5-6H,4H2,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3
InChIKeyQWBGJOMITJXXMQ-UHFFFAOYSA-N
MW2061.88 g/mol
LogP29.76
Rot. Bonds22

About 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol

3,4-dimethyl-5-propan-2-yl-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol (PubChem CID 160535193) has the molecular formula C107H145N21O9S6 and a molecular weight of 2061.88 g/mol. Its IUPAC name is 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol.

Molecular Properties

Compound Name3,4-dimethyl-5-propan-2-yl-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol
PubChem CID160535193
Molecular FormulaC107H145N21O9S6
Molecular Weight2061.88 g/mol
Exact Mass2059.99
IUPAC Name3,4-dimethyl-5-propan-2-yl-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol
SMILESCC(C)c1cnn(C)c1.CC(C)c1nnc(-c2cccc(O)c2)s1.CC(C)c1nnc(-c2ccccc2)s1.CC(C)c1nnc(-c2ccccn2)s1.CC(C)c1nnc(-c2cccnc2)s1.CCOC(=O)c1cc(C(C)C)on1.CCc1cc(C(C)C)on1.COCc1cc(C(C)C)on1.Cc1ccc(-c2nnc(C(C)C)s2)cn1.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1.Cc1noc(C(C)C)c1C
InChIInChI=1S/C11H13N3S.C11H12N2OS.C11H12N2S.2C10H11N3S.C9H13NO3.C8H13NO2.2C8H13NO.C7H12N2.C7H11NO.C7H11NS/c1-7(2)10-13-14-11(15-10)9-5-4-8(3)12-6-9;1-7(2)10-12-13-11(15-10)8-4-3-5-9(14)6-8;1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9;1-7(2)9-12-13-10(14-9)8-4-3-5-11-6-8;1-7(2)9-12-13-10(14-9)8-5-3-4-6-11-8;1-4-12-9(11)7-5-8(6(2)3)13-10-7;1-6(2)8-4-7(5-10-3)9-11-8;1-5(2)8-6(3)7(4)9-10-8;1-4-7-5-8(6(2)3)10-9-7;1-6(2)7-4-8-9(3)5-7;2*1-5(2)7-4-8-6(3)9-7/h4-7H,1-3H3;3-7,14H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;5H,1-4H3;5-6H,4H2,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3
InChIKeyQWBGJOMITJXXMQ-UHFFFAOYSA-N
XLogP29.76
TPSA384.19 Ų
H-Bond Donors1
H-Bond Acceptors36
Rotatable Bonds22
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002061.88
LogP ≤ 529.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1036

Analyze 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol?
The IUPAC name of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol (CID 160535193) is 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol.
What is the SMILES notation for 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol?
The canonical SMILES for 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol is CC(C)c1cnn(C)c1.CC(C)c1nnc(-c2cccc(O)c2)s1.CC(C)c1nnc(-c2ccccc2)s1.CC(C)c1nnc(-c2ccccn2)s1.CC(C)c1nnc(-c2cccnc2)s1.CCOC(=O)c1cc(C(C)C)on1.CCc1cc(C(C)C)on1.COCc1cc(C(C)C)on1.Cc1ccc(-c2nnc(C(C)C)s2)cn1.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1.Cc1noc(C(C)C)c1C.
What is the InChIKey of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol?
The InChIKey is QWBGJOMITJXXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S.C11H12N2OS.C11H12N2S.2C10H11N3S.C9H13NO3.C8H13NO2.2C8H13NO.C7H12N2.C7H11NO.C7H11NS/c1-7(2)10-13-14-11(15-10)9-5-4-8(3)12-6-9;1-7(2)10-12-13-11(15-10)8-4-3-5-9(14)6-8;1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9;1-7(2)9-12-13-10(14-9)8-4-3-5-11-6-8;1-7(2)9-12-13-10(14-9)8-5-3-4-6-11-8;1-4-12-9(11)7-5-8(6(2)3)13-10-7;1-6(2)8-4-7(5-10-3)9-11-8;1-5(2)8-6(3)7(4)9-10-8;1-4-7-5-8(6(2)3)10-9-7;1-6(2)7-4-8-9(3)5-7;2*1-5(2)7-4-8-6(3)9-7/h4-7H,1-3H3;3-7,14H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;5H,1-4H3;5-6H,4H2,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3.
What are the key properties of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol?
3,4-dimethyl-5-propan-2-yl-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol has a molecular weight of 2061.88 g/mol, XLogP of 29.76, 22 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol is sourced from PubChem (CID 160535193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).