3-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]benzamide

C17H15ClN2O3 — CID 110792162

IUPAC3-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]benzamide
SMILESCn1c(=O)oc2cc(CCNC(=O)c3cccc(Cl)c3)ccc21
InChIInChI=1S/C17H15ClN2O3/c1-20-14-6-5-11(9-15(14)23-17(20)22)7-8-19-16(21)12-3-2-4-13(18)10-12/h2-6,9-10H,7-8H2,1H3,(H,19,21)
InChIKeyOGUXDSAQULQCTB-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.76
Rot. Bonds4

About 3-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]benzamide

3-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]benzamide (PubChem CID 110792162) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 3-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]benzamide
PubChem CID110792162
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name3-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]benzamide
SMILESCn1c(=O)oc2cc(CCNC(=O)c3cccc(Cl)c3)ccc21
InChIInChI=1S/C17H15ClN2O3/c1-20-14-6-5-11(9-15(14)23-17(20)22)7-8-19-16(21)12-3-2-4-13(18)10-12/h2-6,9-10H,7-8H2,1H3,(H,19,21)
InChIKeyOGUXDSAQULQCTB-UHFFFAOYSA-N
XLogP2.76
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]pyridine-3-carboxamide
CID 110792165
2-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 115162152
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110796294
1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea
CID 110776292
1-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-3-phenylurea
CID 110776289
N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766529
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]cyclopropanecarboxamide
CID 110792130
3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889424
6-[2-(3-chlorophenyl)acetyl]-3-methyl-1,3-benzoxazol-2-one
CID 62504770
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-chlorobenzamide
CID 110707375
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766470
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766483

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]benzamide (CID 110792162) is 3-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]benzamide is Cn1c(=O)oc2cc(CCNC(=O)c3cccc(Cl)c3)ccc21.
What is the InChIKey of 3-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]benzamide?
The InChIKey is OGUXDSAQULQCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-20-14-6-5-11(9-15(14)23-17(20)22)7-8-19-16(21)12-3-2-4-13(18)10-12/h2-6,9-10H,7-8H2,1H3,(H,19,21).
What are the key properties of 3-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]benzamide?
3-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]benzamide has a molecular weight of 330.77 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]benzamide is sourced from PubChem (CID 110792162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).