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

C15H12ClN3O — CID 80522847

IUPAC5-(3-chloro-4-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2-c2ccccn2)cc1Cl
InChIInChI=1S/C15H12ClN3O/c1-9-5-6-10(8-11(9)16)14-13(15(17)19-20-14)12-4-2-3-7-18-12/h2-8H,1H3,(H2,17,19)
InChIKeyMCCFDNVAILYZDH-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.95
Rot. Bonds2

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

5-(3-chloro-4-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine (PubChem CID 80522847) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-(3-chloro-4-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-4-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
PubChem CID80522847
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name5-(3-chloro-4-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2-c2ccccn2)cc1Cl
InChIInChI=1S/C15H12ClN3O/c1-9-5-6-10(8-11(9)16)14-13(15(17)19-20-14)12-4-2-3-7-18-12/h2-8H,1H3,(H2,17,19)
InChIKeyMCCFDNVAILYZDH-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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Related Compounds

5-(3-fluoro-4-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 80522275
5-(4-bromo-3-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 81307029
5-(3-chloro-4-iodophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 103222608
5-(3,5-dichlorophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 80521472
5-(3-chloro-4-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524169
4-chloro-5-(3-chloro-4-methylphenyl)-1,2-oxazol-3-amine
CID 79555946
5-(2,3-dimethylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 80521578
4-(3,5-difluorophenyl)-5-pyridin-2-yl-1,2-oxazol-3-amine
CID 66201880
5-(3-chloro-4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 82878281
5-(3-amino-4-pyridin-2-yl-1,2-oxazol-5-yl)-1H-pyridin-2-one
CID 136742866
4-(3,4-dichlorophenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66200018
5-(4-chloro-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 80521231

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-chloro-4-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine (CID 80522847) is 5-(3-chloro-4-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-chloro-4-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-chloro-4-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine is Cc1ccc(-c2onc(N)c2-c2ccccn2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
The InChIKey is MCCFDNVAILYZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-5-6-10(8-11(9)16)14-13(15(17)19-20-14)12-4-2-3-7-18-12/h2-8H,1H3,(H2,17,19).
What are the key properties of 5-(3-chloro-4-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
5-(3-chloro-4-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-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 5-(3-chloro-4-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 80522847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).