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

C20H16Cl2N2O2 — CID 90504433

IUPACN-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3cc(-c4ccc(Cl)cc4)on3)CC2)cc1Cl
InChIInChI=1S/C20H16Cl2N2O2/c1-12-2-7-15(10-16(12)22)23-19(25)20(8-9-20)18-11-17(26-24-18)13-3-5-14(21)6-4-13/h2-7,10-11H,8-9H2,1H3,(H,23,25)
InChIKeyCSAUAZWARBBZDI-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.63
Rot. Bonds4

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

N-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 90504433) has the molecular formula C20H16Cl2N2O2 and a molecular weight of 387.27 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
PubChem CID90504433
Molecular FormulaC20H16Cl2N2O2
Molecular Weight387.27 g/mol
Exact Mass386.06
IUPAC NameN-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3cc(-c4ccc(Cl)cc4)on3)CC2)cc1Cl
InChIInChI=1S/C20H16Cl2N2O2/c1-12-2-7-15(10-16(12)22)23-19(25)20(8-9-20)18-11-17(26-24-18)13-3-5-14(21)6-4-13/h2-7,10-11H,8-9H2,1H3,(H,23,25)
InChIKeyCSAUAZWARBBZDI-UHFFFAOYSA-N
XLogP5.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(2-methyl-1,3-benzothiazol-5-yl)cyclopropane-1-carboxamide
CID 90504523
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-methylcyclopropane-1-carboxamide
CID 90504315
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-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 90504477
N-(3-chloro-4-fluorophenyl)-1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504125
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,N-dimethylcyclopropane-1-carboxamide
CID 90504280
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
CID 90504519
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-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 90504356

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide (CID 90504433) is N-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(c3cc(-c4ccc(Cl)cc4)on3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is CSAUAZWARBBZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2/c1-12-2-7-15(10-16(12)22)23-19(25)20(8-9-20)18-11-17(26-24-18)13-3-5-14(21)6-4-13/h2-7,10-11H,8-9H2,1H3,(H,23,25).
What are the key properties of N-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
N-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 90504433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).