5-[3-amino-4-(3-methylphenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one

C15H13N3O2 — CID 136742855

IUPAC5-[3-amino-4-(3-methylphenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
SMILESCc1cccc(-c2c(N)noc2-c2ccc(=O)[nH]c2)c1
InChIInChI=1S/C15H13N3O2/c1-9-3-2-4-10(7-9)13-14(20-18-15(13)16)11-5-6-12(19)17-8-11/h2-8H,1H3,(H2,16,18)(H,17,19)
InChIKeyUELBGVNFGJFTMP-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.59
Rot. Bonds2

About 5-[3-amino-4-(3-methylphenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one

5-[3-amino-4-(3-methylphenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one (PubChem CID 136742855) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-[3-amino-4-(3-methylphenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-amino-4-(3-methylphenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
PubChem CID136742855
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-[3-amino-4-(3-methylphenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
SMILESCc1cccc(-c2c(N)noc2-c2ccc(=O)[nH]c2)c1
InChIInChI=1S/C15H13N3O2/c1-9-3-2-4-10(7-9)13-14(20-18-15(13)16)11-5-6-12(19)17-8-11/h2-8H,1H3,(H2,16,18)(H,17,19)
InChIKeyUELBGVNFGJFTMP-UHFFFAOYSA-N
XLogP2.59
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66197888
5-[3-amino-4-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
CID 136742850
5-(3,5-dimethylphenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198077
5-[3-amino-4-(3-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
CID 136742869
5-(2-methylfuran-3-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198480
4-(2-methylphenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66205199
5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199506
5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198080
5-(2,2-dimethylpropyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66199678
4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66199355
4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66200150
5-(1,1-difluoroethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 114249585

Frequently Asked Questions

What is the IUPAC name of 5-[3-amino-4-(3-methylphenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[3-amino-4-(3-methylphenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one (CID 136742855) is 5-[3-amino-4-(3-methylphenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-amino-4-(3-methylphenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3-amino-4-(3-methylphenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one is Cc1cccc(-c2c(N)noc2-c2ccc(=O)[nH]c2)c1.
What is the InChIKey of 5-[3-amino-4-(3-methylphenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one?
The InChIKey is UELBGVNFGJFTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-3-2-4-10(7-9)13-14(20-18-15(13)16)11-5-6-12(19)17-8-11/h2-8H,1H3,(H2,16,18)(H,17,19).
What are the key properties of 5-[3-amino-4-(3-methylphenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one?
5-[3-amino-4-(3-methylphenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one has a molecular weight of 267.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-amino-4-(3-methylphenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 136742855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).