2-(2-methylpropyl)-1,3-oxazole;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole

C23H35N3OS — CID 161297306

IUPAC2-(2-methylpropyl)-1,3-oxazole;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1ccncc1.CC(C)Cc1ncco1.CC(C)Cc1nccs1
InChIInChI=1S/C9H13N.C7H11NO.C7H11NS/c1-8(2)7-9-3-5-10-6-4-9;2*1-6(2)5-7-8-3-4-9-7/h3-6,8H,7H2,1-2H3;2*3-4,6H,5H2,1-2H3
InChIKeyVHDKNACHYVGIEJ-UHFFFAOYSA-N
MW401.62 g/mol
LogP6.49
Rot. Bonds6

About 2-(2-methylpropyl)-1,3-oxazole;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole

2-(2-methylpropyl)-1,3-oxazole;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole (PubChem CID 161297306) has the molecular formula C23H35N3OS and a molecular weight of 401.62 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1,3-oxazole;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methylpropyl)-1,3-oxazole;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole
PubChem CID161297306
Molecular FormulaC23H35N3OS
Molecular Weight401.62 g/mol
Exact Mass401.25
IUPAC Name2-(2-methylpropyl)-1,3-oxazole;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1ccncc1.CC(C)Cc1ncco1.CC(C)Cc1nccs1
InChIInChI=1S/C9H13N.C7H11NO.C7H11NS/c1-8(2)7-9-3-5-10-6-4-9;2*1-6(2)5-7-8-3-4-9-7/h3-6,8H,7H2,1-2H3;2*3-4,6H,5H2,1-2H3
InChIKeyVHDKNACHYVGIEJ-UHFFFAOYSA-N
XLogP6.49
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.62
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-methylpropyl)-1,3-oxazole;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole 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 2-(2-methylpropyl)-1,3-oxazole;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 2-(2-methylpropyl)-1,3-oxazole;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole (CID 161297306) is 2-(2-methylpropyl)-1,3-oxazole;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-methylpropyl)-1,3-oxazole;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 2-(2-methylpropyl)-1,3-oxazole;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole is CC(C)Cc1ccncc1.CC(C)Cc1ncco1.CC(C)Cc1nccs1.
What is the InChIKey of 2-(2-methylpropyl)-1,3-oxazole;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole?
The InChIKey is VHDKNACHYVGIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C7H11NO.C7H11NS/c1-8(2)7-9-3-5-10-6-4-9;2*1-6(2)5-7-8-3-4-9-7/h3-6,8H,7H2,1-2H3;2*3-4,6H,5H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-1,3-oxazole;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole?
2-(2-methylpropyl)-1,3-oxazole;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole has a molecular weight of 401.62 g/mol, XLogP of 6.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1,3-oxazole;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 161297306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).