3-(2-chloro-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine

C15H12ClN3O — CID 106861629

IUPAC3-(2-chloro-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESCc1ccc(-c2noc(N)c2-c2ccncc2)c(Cl)c1
InChIInChI=1S/C15H12ClN3O/c1-9-2-3-11(12(16)8-9)14-13(15(17)20-19-14)10-4-6-18-7-5-10/h2-8H,17H2,1H3
InChIKeyQBNFJZCHBPFJMK-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.95
Rot. Bonds2

About 3-(2-chloro-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine

3-(2-chloro-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine (PubChem CID 106861629) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
PubChem CID106861629
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name3-(2-chloro-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESCc1ccc(-c2noc(N)c2-c2ccncc2)c(Cl)c1
InChIInChI=1S/C15H12ClN3O/c1-9-2-3-11(12(16)8-9)14-13(15(17)20-19-14)10-4-6-18-7-5-10/h2-8H,17H2,1H3
InChIKeyQBNFJZCHBPFJMK-UHFFFAOYSA-N
XLogP3.95
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-chloro-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine (CID 106861629) is 3-(2-chloro-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-chloro-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-chloro-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine is Cc1ccc(-c2noc(N)c2-c2ccncc2)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The InChIKey is QBNFJZCHBPFJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-2-3-11(12(16)8-9)14-13(15(17)20-19-14)10-4-6-18-7-5-10/h2-8H,17H2,1H3.
What are the key properties of 3-(2-chloro-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
3-(2-chloro-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine has a molecular weight of 285.73 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 106861629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).