Skip to content

2-(2-tert-butyl-6-methylphenyl)-1,3-oxazole;2-(2-tert-butylphenyl)pyridine;1-(3-tert-butylphenyl)tetrazole;methane

C41H52N6O — CID 157469204

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(2-tert-butyl-6-methylphenyl)-1,3-oxazole;2-(2-tert-butylphenyl)pyridine;1-(3-tert-butylphenyl)tetrazole;methane
SMILESC.CC(C)(C)c1cccc(-n2cnnn2)c1.CC(C)(C)c1ccccc1-c1ccccn1.Cc1cccc(C(C)(C)C)c1-c1ncco1
InChIInChI=1S/C15H17N.C14H17NO.C11H14N4.CH4/c1-15(2,3)13-9-5-4-8-12(13)14-10-6-7-11-16-14;1-10-6-5-7-11(14(2,3)4)12(10)13-15-8-9-16-13;1-11(2,3)9-5-4-6-10(7-9)15-8-12-13-14-15;/h4-11H,1-3H3;5-9H,1-4H3;4-8H,1-3H3;1H4
InChIKeyBUVDYFLYGRDYBZ-UHFFFAOYSA-N
MW644.91 g/mol
LogP10.59
Rot. Bonds3

About 2-(2-tert-butyl-6-methylphenyl)-1,3-oxazole;2-(2-tert-butylphenyl)pyridine;1-(3-tert-butylphenyl)tetrazole;methane

2-(2-tert-butyl-6-methylphenyl)-1,3-oxazole;2-(2-tert-butylphenyl)pyridine;1-(3-tert-butylphenyl)tetrazole;methane (PubChem CID 157469204) has the molecular formula C41H52N6O and a molecular weight of 644.91 g/mol. Its IUPAC name is 2-(2-tert-butyl-6-methylphenyl)-1,3-oxazole;2-(2-tert-butylphenyl)pyridine;1-(3-tert-butylphenyl)tetrazole;methane.

Molecular Properties

Compound Name2-(2-tert-butyl-6-methylphenyl)-1,3-oxazole;2-(2-tert-butylphenyl)pyridine;1-(3-tert-butylphenyl)tetrazole;methane
PubChem CID157469204
Molecular FormulaC41H52N6O
Molecular Weight644.91 g/mol
Exact Mass644.42
IUPAC Name2-(2-tert-butyl-6-methylphenyl)-1,3-oxazole;2-(2-tert-butylphenyl)pyridine;1-(3-tert-butylphenyl)tetrazole;methane
SMILESC.CC(C)(C)c1cccc(-n2cnnn2)c1.CC(C)(C)c1ccccc1-c1ccccn1.Cc1cccc(C(C)(C)C)c1-c1ncco1
InChIInChI=1S/C15H17N.C14H17NO.C11H14N4.CH4/c1-15(2,3)13-9-5-4-8-12(13)14-10-6-7-11-16-14;1-10-6-5-7-11(14(2,3)4)12(10)13-15-8-9-16-13;1-11(2,3)9-5-4-6-10(7-9)15-8-12-13-14-15;/h4-11H,1-3H3;5-9H,1-4H3;4-8H,1-3H3;1H4
InChIKeyBUVDYFLYGRDYBZ-UHFFFAOYSA-N
XLogP10.59
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.91
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-tert-butyl-6-methylphenyl)-1,3-oxazole;2-(2-tert-butylphenyl)pyridine;1-(3-tert-butylphenyl)tetrazole;methane 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-tert-butyl-6-methylphenyl)-1,3-oxazole;2-(2-tert-butylphenyl)pyridine;1-(3-tert-butylphenyl)tetrazole;methane?
The IUPAC name of 2-(2-tert-butyl-6-methylphenyl)-1,3-oxazole;2-(2-tert-butylphenyl)pyridine;1-(3-tert-butylphenyl)tetrazole;methane (CID 157469204) is 2-(2-tert-butyl-6-methylphenyl)-1,3-oxazole;2-(2-tert-butylphenyl)pyridine;1-(3-tert-butylphenyl)tetrazole;methane.
What is the SMILES notation for 2-(2-tert-butyl-6-methylphenyl)-1,3-oxazole;2-(2-tert-butylphenyl)pyridine;1-(3-tert-butylphenyl)tetrazole;methane?
The canonical SMILES for 2-(2-tert-butyl-6-methylphenyl)-1,3-oxazole;2-(2-tert-butylphenyl)pyridine;1-(3-tert-butylphenyl)tetrazole;methane is C.CC(C)(C)c1cccc(-n2cnnn2)c1.CC(C)(C)c1ccccc1-c1ccccn1.Cc1cccc(C(C)(C)C)c1-c1ncco1.
What is the InChIKey of 2-(2-tert-butyl-6-methylphenyl)-1,3-oxazole;2-(2-tert-butylphenyl)pyridine;1-(3-tert-butylphenyl)tetrazole;methane?
The InChIKey is BUVDYFLYGRDYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N.C14H17NO.C11H14N4.CH4/c1-15(2,3)13-9-5-4-8-12(13)14-10-6-7-11-16-14;1-10-6-5-7-11(14(2,3)4)12(10)13-15-8-9-16-13;1-11(2,3)9-5-4-6-10(7-9)15-8-12-13-14-15;/h4-11H,1-3H3;5-9H,1-4H3;4-8H,1-3H3;1H4.
What are the key properties of 2-(2-tert-butyl-6-methylphenyl)-1,3-oxazole;2-(2-tert-butylphenyl)pyridine;1-(3-tert-butylphenyl)tetrazole;methane?
2-(2-tert-butyl-6-methylphenyl)-1,3-oxazole;2-(2-tert-butylphenyl)pyridine;1-(3-tert-butylphenyl)tetrazole;methane has a molecular weight of 644.91 g/mol, XLogP of 10.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-6-methylphenyl)-1,3-oxazole;2-(2-tert-butylphenyl)pyridine;1-(3-tert-butylphenyl)tetrazole;methane is sourced from PubChem (CID 157469204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.