3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide

C15H10Cl2N2O3 — CID 110786732

IUPAC3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
SMILESO=C(NCc1ccc2oc(=O)[nH]c2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O3/c16-10-3-2-9(6-11(10)17)14(20)18-7-8-1-4-13-12(5-8)19-15(21)22-13/h1-6H,7H2,(H,18,20)(H,19,21)
InChIKeyWMDOUNVODATLHD-UHFFFAOYSA-N
MW337.16 g/mol
LogP3.36
Rot. Bonds3

About 3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide

3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide (PubChem CID 110786732) has the molecular formula C15H10Cl2N2O3 and a molecular weight of 337.16 g/mol. Its IUPAC name is 3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
PubChem CID110786732
Molecular FormulaC15H10Cl2N2O3
Molecular Weight337.16 g/mol
Exact Mass336.01
IUPAC Name3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
SMILESO=C(NCc1ccc2oc(=O)[nH]c2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O3/c16-10-3-2-9(6-11(10)17)14(20)18-7-8-1-4-13-12(5-8)19-15(21)22-13/h1-6H,7H2,(H,18,20)(H,19,21)
InChIKeyWMDOUNVODATLHD-UHFFFAOYSA-N
XLogP3.36
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786718
2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide
CID 110766627
3-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
CID 115176424
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-2-phenylacetamide
CID 110786737
2-ethyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
CID 110786713
4-bromo-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide
CID 110786482
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773952
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide
CID 110786705
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)methylamino]butanoic acid
CID 82501414
4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide
CID 110665296
2-oxo-3H-1,3-benzoxazole-5-carbohydrazide
CID 116843327
N-[(4-carbamothioylphenyl)methyl]-3,4-dichlorobenzamide
CID 62311218

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide (CID 110786732) is 3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide is O=C(NCc1ccc2oc(=O)[nH]c2c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide?
The InChIKey is WMDOUNVODATLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3/c16-10-3-2-9(6-11(10)17)14(20)18-7-8-1-4-13-12(5-8)19-15(21)22-13/h1-6H,7H2,(H,18,20)(H,19,21).
What are the key properties of 3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide?
3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide has a molecular weight of 337.16 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 110786732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).