N-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxamide

C17H13ClN2O3 — CID 110649994

IUPACN-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2oncc2C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H13ClN2O3/c1-22-12-8-6-11(7-9-12)16-13(10-19-23-16)17(21)20-15-5-3-2-4-14(15)18/h2-10H,1H3,(H,20,21)
InChIKeyREBSDKSZBWRCSM-UHFFFAOYSA-N
MW328.76 g/mol
LogP4.26
Rot. Bonds4

About N-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxamide

N-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 110649994) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxamide
PubChem CID110649994
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC NameN-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2oncc2C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H13ClN2O3/c1-22-12-8-6-11(7-9-12)16-13(10-19-23-16)17(21)20-15-5-3-2-4-14(15)18/h2-10H,1H3,(H,20,21)
InChIKeyREBSDKSZBWRCSM-UHFFFAOYSA-N
XLogP4.26
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxamide (CID 110649994) is N-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxamide is COc1ccc(-c2oncc2C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is REBSDKSZBWRCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-22-12-8-6-11(7-9-12)16-13(10-19-23-16)17(21)20-15-5-3-2-4-14(15)18/h2-10H,1H3,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxamide?
N-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110649994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).