1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide

C21H20N2O3S — CID 90503650

IUPAC1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
SMILESCOc1cccc(-c2cc(C3(C(=O)Nc4ccc(SC)cc4)CC3)no2)c1
InChIInChI=1S/C21H20N2O3S/c1-25-16-5-3-4-14(12-16)18-13-19(23-26-18)21(10-11-21)20(24)22-15-6-8-17(27-2)9-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)
InChIKeyRZVAMXQQFFTDRJ-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.74
Rot. Bonds6

About 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide

1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide (PubChem CID 90503650) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
PubChem CID90503650
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
SMILESCOc1cccc(-c2cc(C3(C(=O)Nc4ccc(SC)cc4)CC3)no2)c1
InChIInChI=1S/C21H20N2O3S/c1-25-16-5-3-4-14(12-16)18-13-19(23-26-18)21(10-11-21)20(24)22-15-6-8-17(27-2)9-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)
InChIKeyRZVAMXQQFFTDRJ-UHFFFAOYSA-N
XLogP4.74
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.74
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-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 90503788
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-quinolin-6-ylcyclopropane-1-carboxamide
CID 90503921
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-(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
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-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide (CID 90503650) is 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide is COc1cccc(-c2cc(C3(C(=O)Nc4ccc(SC)cc4)CC3)no2)c1.
What is the InChIKey of 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide?
The InChIKey is RZVAMXQQFFTDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-25-16-5-3-4-14(12-16)18-13-19(23-26-18)21(10-11-21)20(24)22-15-6-8-17(27-2)9-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,22,24).
What are the key properties of 1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide?
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.74, 6 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-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90503650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).