1-methyl-5-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one

C16H15N3O2 — CID 53156542

IUPAC1-methyl-5-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCc1ccccc1Cc1nc(-c2ccc(=O)n(C)c2)no1
InChIInChI=1S/C16H15N3O2/c1-11-5-3-4-6-12(11)9-14-17-16(18-21-14)13-7-8-15(20)19(2)10-13/h3-8,10H,9H2,1-2H3
InChIKeyZTYFPGZGXFRBNQ-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.33
Rot. Bonds3

About 1-methyl-5-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one

1-methyl-5-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one (PubChem CID 53156542) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-methyl-5-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
PubChem CID53156542
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name1-methyl-5-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCc1ccccc1Cc1nc(-c2ccc(=O)n(C)c2)no1
InChIInChI=1S/C16H15N3O2/c1-11-5-3-4-6-12(11)9-14-17-16(18-21-14)13-7-8-15(20)19(2)10-13/h3-8,10H,9H2,1-2H3
InChIKeyZTYFPGZGXFRBNQ-UHFFFAOYSA-N
XLogP2.33
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 53156519
4-methyl-N-[(1S)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 97416381
5-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
CID 126816132
6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[(2-methylphenyl)methyl]pyridazin-3-one
CID 53157215
3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143
1-methyl-5-[5-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 97416378
3-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 91646541
5-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
CID 83274036
2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione
CID 17380564
5-(4-methylphenyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 46044094
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione
CID 24687028
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 62535165

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one (CID 53156542) is 1-methyl-5-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one is Cc1ccccc1Cc1nc(-c2ccc(=O)n(C)c2)no1.
What is the InChIKey of 1-methyl-5-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The InChIKey is ZTYFPGZGXFRBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-5-3-4-6-12(11)9-14-17-16(18-21-14)13-7-8-15(20)19(2)10-13/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-methyl-5-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
1-methyl-5-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one has a molecular weight of 281.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one is sourced from PubChem (CID 53156542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).