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

C23H21N3O2 — CID 53037921

IUPAC1-[(2,5-dimethylphenyl)methyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one
SMILESCc1ccc(-c2noc(-c3ccc(=O)n(Cc4cc(C)ccc4C)c3)n2)cc1
InChIInChI=1S/C23H21N3O2/c1-15-5-8-18(9-6-15)22-24-23(28-25-22)19-10-11-21(27)26(13-19)14-20-12-16(2)4-7-17(20)3/h4-13H,14H2,1-3H3
InChIKeyQSTQFSRWCXLZFD-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.54
Rot. Bonds4

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

1-[(2,5-dimethylphenyl)methyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one (PubChem CID 53037921) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one
PubChem CID53037921
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one
SMILESCc1ccc(-c2noc(-c3ccc(=O)n(Cc4cc(C)ccc4C)c3)n2)cc1
InChIInChI=1S/C23H21N3O2/c1-15-5-8-18(9-6-15)22-24-23(28-25-22)19-10-11-21(27)26(13-19)14-20-12-16(2)4-7-17(20)3/h4-13H,14H2,1-3H3
InChIKeyQSTQFSRWCXLZFD-UHFFFAOYSA-N
XLogP4.54
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one (CID 53037921) is 1-[(2,5-dimethylphenyl)methyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one is Cc1ccc(-c2noc(-c3ccc(=O)n(Cc4cc(C)ccc4C)c3)n2)cc1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one?
The InChIKey is QSTQFSRWCXLZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-15-5-8-18(9-6-15)22-24-23(28-25-22)19-10-11-21(27)26(13-19)14-20-12-16(2)4-7-17(20)3/h4-13H,14H2,1-3H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one?
1-[(2,5-dimethylphenyl)methyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one has a molecular weight of 371.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one is sourced from PubChem (CID 53037921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).