5-(3-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide

C21H17N3O4 — CID 110619594

IUPAC5-(3-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3cc4ccccc4[nH]c3=O)no2)c1
InChIInChI=1S/C21H17N3O4/c1-27-16-7-4-6-14(10-16)19-11-18(24-28-19)21(26)22-12-15-9-13-5-2-3-8-17(13)23-20(15)25/h2-11H,12H2,1H3,(H,22,26)(H,23,25)
InChIKeyVJRLVYCAWAIOCL-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.12
Rot. Bonds5

About 5-(3-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide

5-(3-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 110619594) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID110619594
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name5-(3-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3cc4ccccc4[nH]c3=O)no2)c1
InChIInChI=1S/C21H17N3O4/c1-27-16-7-4-6-14(10-16)19-11-18(24-28-19)21(26)22-12-15-9-13-5-2-3-8-17(13)23-20(15)25/h2-11H,12H2,1H3,(H,22,26)(H,23,25)
InChIKeyVJRLVYCAWAIOCL-UHFFFAOYSA-N
XLogP3.12
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619586
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619629
N-[(2-oxo-1H-quinolin-3-yl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110619588
N-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110619681
N-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110356862
5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide
CID 110317131
5-(4-chlorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 110619595
N-[2-(4-fluorophenyl)-2-oxoethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110619541
4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
N-(imidazo[1,5-a]pyridin-3-ylmethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110619665
N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylbenzamide
CID 110324311
2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide
CID 16867077

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide (CID 110619594) is 5-(3-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)NCc3cc4ccccc4[nH]c3=O)no2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VJRLVYCAWAIOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-27-16-7-4-6-14(10-16)19-11-18(24-28-19)21(26)22-12-15-9-13-5-2-3-8-17(13)23-20(15)25/h2-11H,12H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 5-(3-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide?
5-(3-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110619594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).