N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C17H15ClN2O4 — CID 110004268

IUPACN-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O4/c18-12-7-5-11(6-8-12)13(10-21)19-16(22)9-20-14-3-1-2-4-15(14)24-17(20)23/h1-8,13,21H,9-10H2,(H,19,22)
InChIKeyGSBLWTMRJBMHBB-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.10
Rot. Bonds5

About N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 110004268) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID110004268
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O4/c18-12-7-5-11(6-8-12)13(10-21)19-16(22)9-20-14-3-1-2-4-15(14)24-17(20)23/h1-8,13,21H,9-10H2,(H,19,22)
InChIKeyGSBLWTMRJBMHBB-UHFFFAOYSA-N
XLogP2.10
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 61245308
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3346299
[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 43026362
N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 91630055
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2973944
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 30872826
3-chloro-N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]benzohydrazide
CID 7809144
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 4839889
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401502
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 121059236
N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46515889

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 110004268) is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)NC(CO)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is GSBLWTMRJBMHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c18-12-7-5-11(6-8-12)13(10-21)19-16(22)9-20-14-3-1-2-4-15(14)24-17(20)23/h1-8,13,21H,9-10H2,(H,19,22).
What are the key properties of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 346.77 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 110004268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).