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

C21H19ClN2O3 — CID 90504543

IUPAC1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCOc1ccccc1)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C21H19ClN2O3/c22-16-8-6-15(7-9-16)18-14-19(24-27-18)21(10-11-21)20(25)23-12-13-26-17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,23,25)
InChIKeyVUCXUMSGECBTLL-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.22
Rot. Bonds7

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

1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-phenoxyethyl)cyclopropane-1-carboxamide (PubChem CID 90504543) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-phenoxyethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
PubChem CID90504543
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCOc1ccccc1)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C21H19ClN2O3/c22-16-8-6-15(7-9-16)18-14-19(24-27-18)21(10-11-21)20(25)23-12-13-26-17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,23,25)
InChIKeyVUCXUMSGECBTLL-UHFFFAOYSA-N
XLogP4.22
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 90504362
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-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 90504356
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-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 90504363
N-[2-(dimethylamino)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503128
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-imidazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 90504343
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 90503716
1-(5-phenyl-1,2-oxazol-3-yl)-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 90503329
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide
CID 90504424
N-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504433
N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 32621862

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-phenoxyethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-phenoxyethyl)cyclopropane-1-carboxamide (CID 90504543) is 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-phenoxyethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-phenoxyethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-phenoxyethyl)cyclopropane-1-carboxamide is O=C(NCCOc1ccccc1)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-phenoxyethyl)cyclopropane-1-carboxamide?
The InChIKey is VUCXUMSGECBTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c22-16-8-6-15(7-9-16)18-14-19(24-27-18)21(10-11-21)20(25)23-12-13-26-17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,23,25).
What are the key properties of 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-phenoxyethyl)cyclopropane-1-carboxamide?
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-phenoxyethyl)cyclopropane-1-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.22, 7 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-(2-phenoxyethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90504543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).