N-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide

C20H17ClN2O2 — CID 86840936

IUPACN-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c(Cl)c1
InChIInChI=1S/C20H17ClN2O2/c1-12-7-10-16(15(21)11-12)22-19(24)17-18(13-8-9-13)25-20(23-17)14-5-3-2-4-6-14/h2-7,10-11,13H,8-9H2,1H3,(H,22,24)
InChIKeyQXCBUPCUCNRQBX-UHFFFAOYSA-N
MW352.82 g/mol
LogP5.43
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide

N-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 86840936) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID86840936
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC NameN-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c(Cl)c1
InChIInChI=1S/C20H17ClN2O2/c1-12-7-10-16(15(21)11-12)22-19(24)17-18(13-8-9-13)25-20(23-17)14-5-3-2-4-6-14/h2-7,10-11,13H,8-9H2,1H3,(H,22,24)
InChIKeyQXCBUPCUCNRQBX-UHFFFAOYSA-N
XLogP5.43
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide (CID 86840936) is N-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is QXCBUPCUCNRQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-12-7-10-16(15(21)11-12)22-19(24)17-18(13-8-9-13)25-20(23-17)14-5-3-2-4-6-14/h2-7,10-11,13H,8-9H2,1H3,(H,22,24).
What are the key properties of N-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
N-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86840936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).