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

C15H12ClN3O — CID 106864599

IUPAC5-(2-chloro-4-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2-c2cccnc2)c(Cl)c1
InChIInChI=1S/C15H12ClN3O/c1-9-4-5-11(12(16)7-9)14-13(15(17)19-20-14)10-3-2-6-18-8-10/h2-8H,1H3,(H2,17,19)
InChIKeyMSPMRICKEMCCAY-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.95
Rot. Bonds2

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

5-(2-chloro-4-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine (PubChem CID 106864599) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-(2-chloro-4-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-chloro-4-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
PubChem CID106864599
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name5-(2-chloro-4-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2-c2cccnc2)c(Cl)c1
InChIInChI=1S/C15H12ClN3O/c1-9-4-5-11(12(16)7-9)14-13(15(17)19-20-14)10-3-2-6-18-8-10/h2-8H,1H3,(H2,17,19)
InChIKeyMSPMRICKEMCCAY-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 5-(2-chloro-4-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-chloro-4-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine (CID 106864599) is 5-(2-chloro-4-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-chloro-4-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-chloro-4-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine is Cc1ccc(-c2onc(N)c2-c2cccnc2)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The InChIKey is MSPMRICKEMCCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-4-5-11(12(16)7-9)14-13(15(17)19-20-14)10-3-2-6-18-8-10/h2-8H,1H3,(H2,17,19).
What are the key properties of 5-(2-chloro-4-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
5-(2-chloro-4-methylphenyl)-4-pyridin-3-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-(2-chloro-4-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 106864599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).