5-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-2-methyl-1H-pyridin-4-one

C14H12N4O2 — CID 136812972

IUPAC5-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2onc(N)c2-c2ccncc2)c[nH]1
InChIInChI=1S/C14H12N4O2/c1-8-6-11(19)10(7-17-8)13-12(14(15)18-20-13)9-2-4-16-5-3-9/h2-7H,1H3,(H2,15,18)(H,17,19)
InChIKeyJWMCVAQNSYATAP-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.98
Rot. Bonds2

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

5-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-2-methyl-1H-pyridin-4-one (PubChem CID 136812972) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-2-methyl-1H-pyridin-4-one
PubChem CID136812972
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name5-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2onc(N)c2-c2ccncc2)c[nH]1
InChIInChI=1S/C14H12N4O2/c1-8-6-11(19)10(7-17-8)13-12(14(15)18-20-13)9-2-4-16-5-3-9/h2-7H,1H3,(H2,15,18)(H,17,19)
InChIKeyJWMCVAQNSYATAP-UHFFFAOYSA-N
XLogP1.98
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-2-methyl-1H-pyridin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one
CID 136812973
5-(2,4-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 107954873
5-(2-methylsulfanylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525895
5-(4-bromo-2-methoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 115370350
5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525852
5-(3-methoxy-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525603
3-(3-amino-4-pyridin-2-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one
CID 136812969
5-(2,6-dichlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525736
5-(3-chloro-4-methylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 103407055
4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 80525813
5-(2-methoxy-3-pyridinyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66199868
5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 107954872

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-2-methyl-1H-pyridin-4-one (CID 136812972) is 5-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-2-methyl-1H-pyridin-4-one is Cc1cc(=O)c(-c2onc(N)c2-c2ccncc2)c[nH]1.
What is the InChIKey of 5-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-2-methyl-1H-pyridin-4-one?
The InChIKey is JWMCVAQNSYATAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-8-6-11(19)10(7-17-8)13-12(14(15)18-20-13)9-2-4-16-5-3-9/h2-7H,1H3,(H2,15,18)(H,17,19).
What are the key properties of 5-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-2-methyl-1H-pyridin-4-one?
5-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-2-methyl-1H-pyridin-4-one has a molecular weight of 268.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 136812972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).