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

C20H15ClN2O4 — CID 90504429

IUPACN-(1,3-benzodioxol-5-yl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C20H15ClN2O4/c21-13-3-1-12(2-4-13)16-10-18(23-27-16)20(7-8-20)19(24)22-14-5-6-15-17(9-14)26-11-25-15/h1-6,9-10H,7-8,11H2,(H,22,24)
InChIKeyPVIHNCRLEMEYND-UHFFFAOYSA-N
MW382.80 g/mol
LogP4.39
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 90504429) has the molecular formula C20H15ClN2O4 and a molecular weight of 382.80 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
PubChem CID90504429
Molecular FormulaC20H15ClN2O4
Molecular Weight382.80 g/mol
Exact Mass382.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C20H15ClN2O4/c21-13-3-1-12(2-4-13)16-10-18(23-27-16)20(7-8-20)19(24)22-14-5-6-15-17(9-14)26-11-25-15/h1-6,9-10H,7-8,11H2,(H,22,24)
InChIKeyPVIHNCRLEMEYND-UHFFFAOYSA-N
XLogP4.39
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.80
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 90504673
N-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504433
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 90504663
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90504763
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide
CID 90504315
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)cyclopropane-1-carboxamide
CID 90504523
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 90504714
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 90504477
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide
CID 90504424
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503527
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 90504533
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 90504452

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide (CID 90504429) is N-(1,3-benzodioxol-5-yl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide is O=C(Nc1ccc2c(c1)OCO2)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is PVIHNCRLEMEYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O4/c21-13-3-1-12(2-4-13)16-10-18(23-27-16)20(7-8-20)19(24)22-14-5-6-15-17(9-14)26-11-25-15/h1-6,9-10H,7-8,11H2,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 382.80 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 90504429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).