1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

C17H14ClNO4 — CID 18277911

IUPAC1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESCC(OC(=O)Cn1c(=O)oc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C17H14ClNO4/c1-11(12-6-2-3-7-13(12)18)22-16(20)10-19-14-8-4-5-9-15(14)23-17(19)21/h2-9,11H,10H2,1H3
InChIKeyNKHMRNNHINTIEE-UHFFFAOYSA-N
MW331.75 g/mol
LogP3.55
Rot. Bonds4

About 1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (PubChem CID 18277911) has the molecular formula C17H14ClNO4 and a molecular weight of 331.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Name1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
PubChem CID18277911
Molecular FormulaC17H14ClNO4
Molecular Weight331.75 g/mol
Exact Mass331.06
IUPAC Name1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESCC(OC(=O)Cn1c(=O)oc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C17H14ClNO4/c1-11(12-6-2-3-7-13(12)18)22-16(20)10-19-14-8-4-5-9-15(14)23-17(19)21/h2-9,11H,10H2,1H3
InChIKeyNKHMRNNHINTIEE-UHFFFAOYSA-N
XLogP3.55
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate 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

[1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 55310879
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400302
[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400857
phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 3605071
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400920
(3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401044
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 46825038
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400292
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
[(1R)-1-(2-chlorophenyl)ethyl] butanoate
CID 141384028
[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 9109355
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 9383558

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The IUPAC name of 1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (CID 18277911) is 1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.
What is the SMILES notation for 1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The canonical SMILES for 1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is CC(OC(=O)Cn1c(=O)oc2ccccc21)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The InChIKey is NKHMRNNHINTIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4/c1-11(12-6-2-3-7-13(12)18)22-16(20)10-19-14-8-4-5-9-15(14)23-17(19)21/h2-9,11H,10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate has a molecular weight of 331.75 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is sourced from PubChem (CID 18277911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).