2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;bis(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole — IUPAC name, SMILES, InChIKey & properties

Name: 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;bis(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;bis(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole

2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;bis(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 159757040) has the molecular formula C77H128N14O3S4 and a molecular weight of 1426.23 g/mol. Its IUPAC name is 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;bis(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name	2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;bis(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID	159757040
Molecular Formula	C77H128N14O3S4
Molecular Weight	1426.23 g/mol
Exact Mass	1424.92
IUPAC Name	2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;bis(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole
SMILES	CC1=NCC(C)=C1C(C)C.CC1=NCC(C)=C1C(C)C.Cc1nc(C(C)C)c(C)s1.Cc1nc(C(C)C)no1.Cc1nc(C(C)C)ns1.Cc1nc(C)c(C(C)C)o1.Cc1nc(C)c(C(C)C)s1.Cc1nnc(C(C)C)n1C.Cc1onc(C(C)C)c1C.Cc1snc(C(C)C)c1C
InChI	InChI=1S/2C9H15N.2C8H13NO.3C8H13NS.C7H13N3.C6H10N2O.C6H10N2S/c21-6(2)9-7(3)5-10-8(9)4;1-5(2)8-6(3)9-7(4)10-8;1-5(2)8-6(3)7(4)10-9-8;1-5(2)8-6(3)10-7(4)9-8;1-5(2)8-6(3)9-7(4)10-8;1-5(2)8-6(3)7(4)10-9-8;1-5(2)7-9-8-6(3)10(7)4;21-4(2)6-7-5(3)9-8-6/h26H,5H2,1-4H3;65H,1-4H3;2*4H,1-3H3
InChIKey	NEJZWZWNFBYWAG-UHFFFAOYSA-N
XLogP	23.06
TPSA	210.86 Å²
H-Bond Donors
H-Bond Acceptors	21
Rotatable Bonds	10
Heavy Atoms	98
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1426.23
LogP ≤ 5	23.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Analyze 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;bis(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;bis(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole?

The IUPAC name of 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;bis(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole (CID 159757040) is 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;bis(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole.

What is the SMILES notation for 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;bis(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole?

The canonical SMILES for 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;bis(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole is CC1=NCC(C)=C1C(C)C.CC1=NCC(C)=C1C(C)C.Cc1nc(C(C)C)c(C)s1.Cc1nc(C(C)C)no1.Cc1nc(C(C)C)ns1.Cc1nc(C)c(C(C)C)o1.Cc1nc(C)c(C(C)C)s1.Cc1nnc(C(C)C)n1C.Cc1onc(C(C)C)c1C.Cc1snc(C(C)C)c1C.

What is the InChIKey of 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;bis(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole?

The InChIKey is NEJZWZWNFBYWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H15N.2C8H13NO.3C8H13NS.C7H13N3.C6H10N2O.C6H10N2S/c2*1-6(2)9-7(3)5-10-8(9)4;1-5(2)8-6(3)9-7(4)10-8;1-5(2)8-6(3)7(4)10-9-8;1-5(2)8-6(3)10-7(4)9-8;1-5(2)8-6(3)9-7(4)10-8;1-5(2)8-6(3)7(4)10-9-8;1-5(2)7-9-8-6(3)10(7)4;2*1-4(2)6-7-5(3)9-8-6/h2*6H,5H2,1-4H3;6*5H,1-4H3;2*4H,1-3H3.

What are the key properties of 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;bis(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole?

Where does this data come from?

All data for 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;bis(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 159757040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).