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

C20H18ClN3O2 — CID 90504533

IUPAC1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccncc1)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C20H18ClN3O2/c21-16-3-1-15(2-4-16)17-13-18(24-26-17)20(8-9-20)19(25)23-12-7-14-5-10-22-11-6-14/h1-6,10-11,13H,7-9,12H2,(H,23,25)
InChIKeyHRZUUBDYJCFKKW-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.78
Rot. Bonds6

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

1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide (PubChem CID 90504533) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
PubChem CID90504533
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccncc1)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C20H18ClN3O2/c21-16-3-1-15(2-4-16)17-13-18(24-26-17)20(8-9-20)19(25)23-12-7-14-5-10-22-11-6-14/h1-6,10-11,13H,7-9,12H2,(H,23,25)
InChIKeyHRZUUBDYJCFKKW-UHFFFAOYSA-N
XLogP3.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(3-imidazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 90504343
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-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
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 90504356
N-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504433
1-(5-phenyl-1,2-oxazol-3-yl)-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 90503329
N-(1,3-benzodioxol-5-yl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504429
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-(2,6-dimethylphenyl)cyclopropane-1-carboxamide
CID 90504424
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 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide (CID 90504533) is 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide is O=C(NCCc1ccncc1)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is HRZUUBDYJCFKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-16-3-1-15(2-4-16)17-13-18(24-26-17)20(8-9-20)19(25)23-12-7-14-5-10-22-11-6-14/h1-6,10-11,13H,7-9,12H2,(H,23,25).
What are the key properties of 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide?
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.78, 6 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-pyridin-4-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90504533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).