N-[(4-chlorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C18H15ClN2O2 — CID 673627

IUPACN-[(4-chlorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O2/c1-12-16(17(21-23-12)14-5-3-2-4-6-14)18(22)20-11-13-7-9-15(19)10-8-13/h2-10H,11H2,1H3,(H,20,22)
InChIKeyVHQMQINQWDNZLT-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.23
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[(4-chlorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 673627) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID673627
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-[(4-chlorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O2/c1-12-16(17(21-23-12)14-5-3-2-4-6-14)18(22)20-11-13-7-9-15(19)10-8-13/h2-10H,11H2,1H3,(H,20,22)
InChIKeyVHQMQINQWDNZLT-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 673627) is N-[(4-chlorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is VHQMQINQWDNZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-12-16(17(21-23-12)14-5-3-2-4-6-14)18(22)20-11-13-7-9-15(19)10-8-13/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[(4-chlorophenyl)methyl]-5-methyl-3-phenyl-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-[(4-chlorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 673627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).