1-[1-(4-chlorophenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one

C18H17ClN2O2 — CID 90234026

IUPAC1-[1-(4-chlorophenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
SMILESCc1noc(C)c1-c1ccc(=O)n(C(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H17ClN2O2/c1-11-18(13(3)23-20-11)15-6-9-17(22)21(10-15)12(2)14-4-7-16(19)8-5-14/h4-10,12H,1-3H3
InChIKeyDBSATKTZXIMERD-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.38
Rot. Bonds3

About 1-[1-(4-chlorophenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one

1-[1-(4-chlorophenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one (PubChem CID 90234026) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
PubChem CID90234026
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name1-[1-(4-chlorophenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
SMILESCc1noc(C)c1-c1ccc(=O)n(C(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H17ClN2O2/c1-11-18(13(3)23-20-11)15-6-9-17(22)21(10-15)12(2)14-4-7-16(19)8-5-14/h4-10,12H,1-3H3
InChIKeyDBSATKTZXIMERD-UHFFFAOYSA-N
XLogP4.38
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one
CID 90234491
3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole
CID 58670338
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylpyridin-2-one;2-methylpropane
CID 167539274
3,5-dimethyl-4-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-1,2-oxazole
CID 11702970
6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(1R)-1-phenylethyl]pyridazin-3-one
CID 90235151
4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]benzamide
CID 76684731
4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole
CID 143541732
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride
CID 90235203
2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 53225038
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(quinoxalin-6-ylmethyl)pyridin-2-one
CID 76684733

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one (CID 90234026) is 1-[1-(4-chlorophenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one is Cc1noc(C)c1-c1ccc(=O)n(C(C)c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one?
The InChIKey is DBSATKTZXIMERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11-18(13(3)23-20-11)15-6-9-17(22)21(10-15)12(2)14-4-7-16(19)8-5-14/h4-10,12H,1-3H3.
What are the key properties of 1-[1-(4-chlorophenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one?
1-[1-(4-chlorophenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one has a molecular weight of 328.80 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one is sourced from PubChem (CID 90234026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).