1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-quinolin-6-ylcyclopropane-1-carboxamide

C23H19N3O3 — CID 90503921

IUPAC1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-quinolin-6-ylcyclopropane-1-carboxamide
SMILESCOc1cccc(-c2cc(C3(C(=O)Nc4ccc5ncccc5c4)CC3)no2)c1
InChIInChI=1S/C23H19N3O3/c1-28-18-6-2-4-16(13-18)20-14-21(26-29-20)23(9-10-23)22(27)25-17-7-8-19-15(12-17)5-3-11-24-19/h2-8,11-14H,9-10H2,1H3,(H,25,27)
InChIKeyZCUBRUWMXBUWBQ-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.57
Rot. Bonds5

About 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-quinolin-6-ylcyclopropane-1-carboxamide

1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-quinolin-6-ylcyclopropane-1-carboxamide (PubChem CID 90503921) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-quinolin-6-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-quinolin-6-ylcyclopropane-1-carboxamide
PubChem CID90503921
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-quinolin-6-ylcyclopropane-1-carboxamide
SMILESCOc1cccc(-c2cc(C3(C(=O)Nc4ccc5ncccc5c4)CC3)no2)c1
InChIInChI=1S/C23H19N3O3/c1-28-18-6-2-4-16(13-18)20-14-21(26-29-20)23(9-10-23)22(27)25-17-7-8-19-15(12-17)5-3-11-24-19/h2-8,11-14H,9-10H2,1H3,(H,25,27)
InChIKeyZCUBRUWMXBUWBQ-UHFFFAOYSA-N
XLogP4.57
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 90503788
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-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
CID 90503923
N-cyclohexyl-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503730
butyl 4-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]benzoate
CID 90503799
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
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 90503481
1-[4-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 90503872
N-(3-ethoxypropyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503720
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-oxothiolan-3-yl)cyclopropane-1-carboxamide
CID 90503904

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-quinolin-6-ylcyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-quinolin-6-ylcyclopropane-1-carboxamide (CID 90503921) is 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-quinolin-6-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-quinolin-6-ylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-quinolin-6-ylcyclopropane-1-carboxamide is COc1cccc(-c2cc(C3(C(=O)Nc4ccc5ncccc5c4)CC3)no2)c1.
What is the InChIKey of 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-quinolin-6-ylcyclopropane-1-carboxamide?
The InChIKey is ZCUBRUWMXBUWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-28-18-6-2-4-16(13-18)20-14-21(26-29-20)23(9-10-23)22(27)25-17-7-8-19-15(12-17)5-3-11-24-19/h2-8,11-14H,9-10H2,1H3,(H,25,27).
What are the key properties of 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-quinolin-6-ylcyclopropane-1-carboxamide?
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-quinolin-6-ylcyclopropane-1-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 4.57, 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-quinolin-6-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 90503921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).