3-[2-(4-methylphenyl)ethyl]-4-pyridin-2-yl-1,2-oxazol-5-amine

C17H17N3O — CID 80521081

IUPAC3-[2-(4-methylphenyl)ethyl]-4-pyridin-2-yl-1,2-oxazol-5-amine
SMILESCc1ccc(CCc2noc(N)c2-c2ccccn2)cc1
InChIInChI=1S/C17H17N3O/c1-12-5-7-13(8-6-12)9-10-15-16(17(18)21-20-15)14-4-2-3-11-19-14/h2-8,11H,9-10,18H2,1H3
InChIKeyPVMSPPVPMURVQS-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.41
Rot. Bonds4

About 3-[2-(4-methylphenyl)ethyl]-4-pyridin-2-yl-1,2-oxazol-5-amine

3-[2-(4-methylphenyl)ethyl]-4-pyridin-2-yl-1,2-oxazol-5-amine (PubChem CID 80521081) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[2-(4-methylphenyl)ethyl]-4-pyridin-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[2-(4-methylphenyl)ethyl]-4-pyridin-2-yl-1,2-oxazol-5-amine
PubChem CID80521081
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-[2-(4-methylphenyl)ethyl]-4-pyridin-2-yl-1,2-oxazol-5-amine
SMILESCc1ccc(CCc2noc(N)c2-c2ccccn2)cc1
InChIInChI=1S/C17H17N3O/c1-12-5-7-13(8-6-12)9-10-15-16(17(18)21-20-15)14-4-2-3-11-19-14/h2-8,11H,9-10,18H2,1H3
InChIKeyPVMSPPVPMURVQS-UHFFFAOYSA-N
XLogP3.41
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80522271
4-pyridin-2-yl-3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine
CID 80521077
4-[2-(4-methylphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227065
3-(3-chloro-5-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 81323738
2-[3-[2-(4-methylphenyl)ethyl]thiophen-2-yl]pyridine
CID 122386358
2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine
CID 175312241
trimethyl-[2-(4-pyridin-2-ylphenyl)ethyl]silane
CID 162513339
3-(4,5-dimethylthiophen-2-yl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80521630
4-methyl-3-[2-(3-methylphenyl)ethyl]-1,2-oxazol-5-amine
CID 62365708
3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 107001966
3-[2-(3-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62501391
2-(4-methylphenyl)pyridine;silver
CID 121395993

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenyl)ethyl]-4-pyridin-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-[2-(4-methylphenyl)ethyl]-4-pyridin-2-yl-1,2-oxazol-5-amine (CID 80521081) is 3-[2-(4-methylphenyl)ethyl]-4-pyridin-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[2-(4-methylphenyl)ethyl]-4-pyridin-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-[2-(4-methylphenyl)ethyl]-4-pyridin-2-yl-1,2-oxazol-5-amine is Cc1ccc(CCc2noc(N)c2-c2ccccn2)cc1.
What is the InChIKey of 3-[2-(4-methylphenyl)ethyl]-4-pyridin-2-yl-1,2-oxazol-5-amine?
The InChIKey is PVMSPPVPMURVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-5-7-13(8-6-12)9-10-15-16(17(18)21-20-15)14-4-2-3-11-19-14/h2-8,11H,9-10,18H2,1H3.
What are the key properties of 3-[2-(4-methylphenyl)ethyl]-4-pyridin-2-yl-1,2-oxazol-5-amine?
3-[2-(4-methylphenyl)ethyl]-4-pyridin-2-yl-1,2-oxazol-5-amine has a molecular weight of 279.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenyl)ethyl]-4-pyridin-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 80521081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).