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

C18H15ClN2O3 — CID 90504356

IUPAC1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccco1)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C18H15ClN2O3/c19-13-5-3-12(4-6-13)15-10-16(21-24-15)18(7-8-18)17(22)20-11-14-2-1-9-23-14/h1-6,9-10H,7-8,11H2,(H,20,22)
InChIKeyYLSKMKFXDDWDAA-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.94
Rot. Bonds5

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

1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 90504356) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID90504356
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccco1)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C18H15ClN2O3/c19-13-5-3-12(4-6-13)15-10-16(21-24-15)18(7-8-18)17(22)20-11-14-2-1-9-23-14/h1-6,9-10H,7-8,11H2,(H,20,22)
InChIKeyYLSKMKFXDDWDAA-UHFFFAOYSA-N
XLogP3.94
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-phenoxyethyl)cyclopropane-1-carboxamide
CID 90504543
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 90504533
N-[(4-chlorophenyl)methyl]-1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504048
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-imidazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 90504343
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 90504362
N-(1,3-benzodioxol-5-yl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504429
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 90504363
N-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504433
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 90504452
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N,N-dimethylcyclopropane-1-carboxamide
CID 90504280
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 90504477

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide (CID 90504356) is 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1ccco1)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is YLSKMKFXDDWDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-13-5-3-12(4-6-13)15-10-16(21-24-15)18(7-8-18)17(22)20-11-14-2-1-9-23-14/h1-6,9-10H,7-8,11H2,(H,20,22).
What are the key properties of 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide?
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 342.78 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90504356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).