N-benzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C18H15ClN2O2 — CID 2055744

IUPACN-benzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1
InChIInChI=1S/C18H15ClN2O2/c1-12-16(18(22)20-11-13-7-3-2-4-8-13)17(21-23-12)14-9-5-6-10-15(14)19/h2-10H,11H2,1H3,(H,20,22)
InChIKeyFWYSCQIJGIRKDH-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.23
Rot. Bonds4

About N-benzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-benzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 2055744) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-benzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID2055744
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-benzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1
InChIInChI=1S/C18H15ClN2O2/c1-12-16(18(22)20-11-13-7-3-2-4-8-13)17(21-23-12)14-9-5-6-10-15(14)19/h2-10H,11H2,1H3,(H,20,22)
InChIKeyFWYSCQIJGIRKDH-UHFFFAOYSA-N
XLogP4.23
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 4250909
CID 4250909
CID 798832
CID 798832
CID 96590
CID 96590
CID 2815
CID 2815
CID 426788
CID 426788
CID 700029
CID 700029
CID 2804980
CID 2804980
CID 2805168
CID 2805168
CID 743794
CID 743794
CID 822394
CID 822394
CID 2726141
CID 2726141
CID 334509
CID 334509

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-benzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 2055744) is N-benzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-benzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-benzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is FWYSCQIJGIRKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-12-16(18(22)20-11-13-7-3-2-4-8-13)17(21-23-12)14-9-5-6-10-15(14)19/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-benzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-benzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2055744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).