1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide

C24H21N3O3 — CID 90503923

IUPAC1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
SMILESCOc1cccc(-c2cc(C3(C(=O)Nc4cccc5nc(C)ccc45)CC3)no2)c1
InChIInChI=1S/C24H21N3O3/c1-15-9-10-18-19(25-15)7-4-8-20(18)26-23(28)24(11-12-24)22-14-21(30-27-22)16-5-3-6-17(13-16)29-2/h3-10,13-14H,11-12H2,1-2H3,(H,26,28)
InChIKeyRXPBBTXDPUBBJF-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.88
Rot. Bonds5

About 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide

1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide (PubChem CID 90503923) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
PubChem CID90503923
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
SMILESCOc1cccc(-c2cc(C3(C(=O)Nc4cccc5nc(C)ccc45)CC3)no2)c1
InChIInChI=1S/C24H21N3O3/c1-15-9-10-18-19(25-15)7-4-8-20(18)26-23(28)24(11-12-24)22-14-21(30-27-22)16-5-3-6-17(13-16)29-2/h3-10,13-14H,11-12H2,1-2H3,(H,26,28)
InChIKeyRXPBBTXDPUBBJF-UHFFFAOYSA-N
XLogP4.88
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
CID 90504232
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
CID 90504519
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 90503650
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropane-1-carboxamide
CID 90503926
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-quinolin-6-ylcyclopropane-1-carboxamide
CID 90503921
N-cyclohexyl-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503730
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 90503788
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 90503710
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 90503716
N-(2-methylsulfanylphenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503194
N-(2,3-dimethylphenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90502927
butyl 4-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]benzoate
CID 90503799

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide (CID 90503923) is 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide is COc1cccc(-c2cc(C3(C(=O)Nc4cccc5nc(C)ccc45)CC3)no2)c1.
What is the InChIKey of 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide?
The InChIKey is RXPBBTXDPUBBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-15-9-10-18-19(25-15)7-4-8-20(18)26-23(28)24(11-12-24)22-14-21(30-27-22)16-5-3-6-17(13-16)29-2/h3-10,13-14H,11-12H2,1-2H3,(H,26,28).
What are the key properties of 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide?
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90503923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).