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

C23H18ClN3O2 — CID 90504519

IUPAC1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
SMILESCc1ccc2c(NC(=O)C3(c4cc(-c5ccc(Cl)cc5)on4)CC3)cccc2n1
InChIInChI=1S/C23H18ClN3O2/c1-14-5-10-17-18(25-14)3-2-4-19(17)26-22(28)23(11-12-23)21-13-20(29-27-21)15-6-8-16(24)9-7-15/h2-10,13H,11-12H2,1H3,(H,26,28)
InChIKeyZMFJQRIKTYNURE-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.52
Rot. Bonds4

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

1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide (PubChem CID 90504519) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
PubChem CID90504519
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
SMILESCc1ccc2c(NC(=O)C3(c4cc(-c5ccc(Cl)cc5)on4)CC3)cccc2n1
InChIInChI=1S/C23H18ClN3O2/c1-14-5-10-17-18(25-14)3-2-4-19(17)26-22(28)23(11-12-23)21-13-20(29-27-21)15-6-8-16(24)9-7-15/h2-10,13H,11-12H2,1H3,(H,26,28)
InChIKeyZMFJQRIKTYNURE-UHFFFAOYSA-N
XLogP5.52
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide (CID 90504519) is 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide is Cc1ccc2c(NC(=O)C3(c4cc(-c5ccc(Cl)cc5)on4)CC3)cccc2n1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide?
The InChIKey is ZMFJQRIKTYNURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-14-5-10-17-18(25-14)3-2-4-19(17)26-22(28)23(11-12-23)21-13-20(29-27-21)15-6-8-16(24)9-7-15/h2-10,13H,11-12H2,1H3,(H,26,28).
What are the key properties of 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide?
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 5.52, 4 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-methylquinolin-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90504519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).