N-[(3-chlorophenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

C13H12ClN3O3 — CID 2805636

IUPACN-[(3-chlorophenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCc2cccc(Cl)c2)no1
InChIInChI=1S/C13H12ClN3O3/c1-8-5-11(17-20-8)16-13(19)12(18)15-7-9-3-2-4-10(14)6-9/h2-6H,7H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyORVZLTJWVNPBGR-UHFFFAOYSA-N
MW293.71 g/mol
LogP1.89
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

N-[(3-chlorophenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 2805636) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID2805636
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC NameN-[(3-chlorophenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCc2cccc(Cl)c2)no1
InChIInChI=1S/C13H12ClN3O3/c1-8-5-11(17-20-8)16-13(19)12(18)15-7-9-3-2-4-10(14)6-9/h2-6H,7H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyORVZLTJWVNPBGR-UHFFFAOYSA-N
XLogP1.89
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 2805636) is N-[(3-chlorophenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is Cc1cc(NC(=O)C(=O)NCc2cccc(Cl)c2)no1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is ORVZLTJWVNPBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-8-5-11(17-20-8)16-13(19)12(18)15-7-9-3-2-4-10(14)6-9/h2-6H,7H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of N-[(3-chlorophenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
N-[(3-chlorophenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 293.71 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 2805636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).