5-(4-chlorophenyl)-N-(7-methoxyquinolin-3-yl)-1,2-oxazole-3-carboxamide

C20H14ClN3O3 — CID 95744974

IUPAC5-(4-chlorophenyl)-N-(7-methoxyquinolin-3-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc2cc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)cnc2c1
InChIInChI=1S/C20H14ClN3O3/c1-26-16-7-4-13-8-15(11-22-17(13)9-16)23-20(25)18-10-19(27-24-18)12-2-5-14(21)6-3-12/h2-11H,1H3,(H,23,25)
InChIKeyJPWKQOYOYITYIN-UHFFFAOYSA-N
MW379.80 g/mol
LogP4.80
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(7-methoxyquinolin-3-yl)-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-(7-methoxyquinolin-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 95744974) has the molecular formula C20H14ClN3O3 and a molecular weight of 379.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(7-methoxyquinolin-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(7-methoxyquinolin-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID95744974
Molecular FormulaC20H14ClN3O3
Molecular Weight379.80 g/mol
Exact Mass379.07
IUPAC Name5-(4-chlorophenyl)-N-(7-methoxyquinolin-3-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc2cc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)cnc2c1
InChIInChI=1S/C20H14ClN3O3/c1-26-16-7-4-13-8-15(11-22-17(13)9-16)23-20(25)18-10-19(27-24-18)12-2-5-14(21)6-3-12/h2-11H,1H3,(H,23,25)
InChIKeyJPWKQOYOYITYIN-UHFFFAOYSA-N
XLogP4.80
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016619
N-(7-methoxyquinolin-3-yl)-1-methylpyrazole-3-carboxamide
CID 95744911
N-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252836
N-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252843
N-(7-methoxyquinolin-3-yl)-4-phenylbenzamide
CID 95745146
N-(3,5-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285765
5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 24608242
5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
CID 43840572
N-(7-methoxyquinolin-3-yl)-2,5-dimethylbenzamide
CID 95745195
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 43843573
N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17022037
N-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 26052595

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(7-methoxyquinolin-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(7-methoxyquinolin-3-yl)-1,2-oxazole-3-carboxamide (CID 95744974) is 5-(4-chlorophenyl)-N-(7-methoxyquinolin-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(7-methoxyquinolin-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(7-methoxyquinolin-3-yl)-1,2-oxazole-3-carboxamide is COc1ccc2cc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)cnc2c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(7-methoxyquinolin-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is JPWKQOYOYITYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3/c1-26-16-7-4-13-8-15(11-22-17(13)9-16)23-20(25)18-10-19(27-24-18)12-2-5-14(21)6-3-12/h2-11H,1H3,(H,23,25).
What are the key properties of 5-(4-chlorophenyl)-N-(7-methoxyquinolin-3-yl)-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-(7-methoxyquinolin-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 379.80 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(7-methoxyquinolin-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95744974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).