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

C15H13N3O2 — CID 136812387

IUPAC3-[5-amino-4-(2-methylphenyl)-1,2-oxazol-3-yl]-1H-pyridin-4-one
SMILESCc1ccccc1-c1c(-c2c[nH]ccc2=O)noc1N
InChIInChI=1S/C15H13N3O2/c1-9-4-2-3-5-10(9)13-14(18-20-15(13)16)11-8-17-7-6-12(11)19/h2-8H,16H2,1H3,(H,17,19)
InChIKeyIABJLVAVKRTPBX-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.59
Rot. Bonds2

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

3-[5-amino-4-(2-methylphenyl)-1,2-oxazol-3-yl]-1H-pyridin-4-one (PubChem CID 136812387) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[5-amino-4-(2-methylphenyl)-1,2-oxazol-3-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[5-amino-4-(2-methylphenyl)-1,2-oxazol-3-yl]-1H-pyridin-4-one
PubChem CID136812387
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-[5-amino-4-(2-methylphenyl)-1,2-oxazol-3-yl]-1H-pyridin-4-one
SMILESCc1ccccc1-c1c(-c2c[nH]ccc2=O)noc1N
InChIInChI=1S/C15H13N3O2/c1-9-4-2-3-5-10(9)13-14(18-20-15(13)16)11-8-17-7-6-12(11)19/h2-8H,16H2,1H3,(H,17,19)
InChIKeyIABJLVAVKRTPBX-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

3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335592
4-(4-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335890
3-(4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43157945
3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 106854737
4-(2-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
CID 63080317
3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335610
3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 62514498
3-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 107962857
4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670744
3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43157955
3-(3-bromo-4-chlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 107988922
4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43158014

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-4-(2-methylphenyl)-1,2-oxazol-3-yl]-1H-pyridin-4-one?
The IUPAC name of 3-[5-amino-4-(2-methylphenyl)-1,2-oxazol-3-yl]-1H-pyridin-4-one (CID 136812387) is 3-[5-amino-4-(2-methylphenyl)-1,2-oxazol-3-yl]-1H-pyridin-4-one.
What is the SMILES notation for 3-[5-amino-4-(2-methylphenyl)-1,2-oxazol-3-yl]-1H-pyridin-4-one?
The canonical SMILES for 3-[5-amino-4-(2-methylphenyl)-1,2-oxazol-3-yl]-1H-pyridin-4-one is Cc1ccccc1-c1c(-c2c[nH]ccc2=O)noc1N.
What is the InChIKey of 3-[5-amino-4-(2-methylphenyl)-1,2-oxazol-3-yl]-1H-pyridin-4-one?
The InChIKey is IABJLVAVKRTPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-4-2-3-5-10(9)13-14(18-20-15(13)16)11-8-17-7-6-12(11)19/h2-8H,16H2,1H3,(H,17,19).
What are the key properties of 3-[5-amino-4-(2-methylphenyl)-1,2-oxazol-3-yl]-1H-pyridin-4-one?
3-[5-amino-4-(2-methylphenyl)-1,2-oxazol-3-yl]-1H-pyridin-4-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 3-[5-amino-4-(2-methylphenyl)-1,2-oxazol-3-yl]-1H-pyridin-4-one is sourced from PubChem (CID 136812387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).