3-methyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one

C10H10N2O2 — CID 115610779

IUPAC3-methyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one
SMILESCc1cccn(Cc2ccno2)c1=O
InChIInChI=1S/C10H10N2O2/c1-8-3-2-6-12(10(8)13)7-9-4-5-11-14-9/h2-6H,7H2,1H3
InChIKeyYOHBMPWQTKQQMM-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.19
Rot. Bonds2

About 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one

3-methyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one (PubChem CID 115610779) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one
PubChem CID115610779
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-methyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one
SMILESCc1cccn(Cc2ccno2)c1=O
InChIInChI=1S/C10H10N2O2/c1-8-3-2-6-12(10(8)13)7-9-4-5-11-14-9/h2-6H,7H2,1H3
InChIKeyYOHBMPWQTKQQMM-UHFFFAOYSA-N
XLogP1.19
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibutyl-1,2-oxazole-5-carboxamide
CID 13673119
2-fluoro-2-methyl-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 130166978
3,3-difluoro-2,2-dimethyl-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 132381599
3-(1,2-Oxazol-5-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 138020952
Ethyl 1-(1,2-oxazol-5-ylmethyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carboxylate
CID 166372466
5-[(3-Fluoro-3-methylpiperidin-1-yl)methyl]-1,2-oxazole
CID 167828536
1-(isoxazol-5-yl)-N,N-dimethylmethanamine
CID 10678239
N,N-dimethylisoxazole-5-carboxamide
CID 10844452
(4-Tert-butylpiperazin-1-yl)-(1,2-oxazol-5-yl)methanone
CID 21061605
2-(1,2-Oxazol-5-ylmethyl)pyridazin-3-one
CID 21655714
N-methoxy-N-methylisoxazole-5-carboxamide
CID 22489934
tert-butyl N-(1,2-oxazol-5-ylmethyl)carbamate
CID 53818902

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one?
The IUPAC name of 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one (CID 115610779) is 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one is Cc1cccn(Cc2ccno2)c1=O.
What is the InChIKey of 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one?
The InChIKey is YOHBMPWQTKQQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-8-3-2-6-12(10(8)13)7-9-4-5-11-14-9/h2-6H,7H2,1H3.
What are the key properties of 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one?
3-methyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one has a molecular weight of 190.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one is sourced from PubChem (CID 115610779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).