benzyl 2-oxo-1,3-benzoxazole-3-carboxylate

C15H11NO4 — CID 56688108

IUPACbenzyl 2-oxo-1,3-benzoxazole-3-carboxylate
SMILESO=C(OCc1ccccc1)n1c(=O)oc2ccccc21
InChIInChI=1S/C15H11NO4/c17-14(19-10-11-6-2-1-3-7-11)16-12-8-4-5-9-13(12)20-15(16)18/h1-9H,10H2
InChIKeySFLCLOSFHJEHIG-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.78
Rot. Bonds2

About benzyl 2-oxo-1,3-benzoxazole-3-carboxylate

benzyl 2-oxo-1,3-benzoxazole-3-carboxylate (PubChem CID 56688108) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is benzyl 2-oxo-1,3-benzoxazole-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2-oxo-1,3-benzoxazole-3-carboxylate
PubChem CID56688108
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Namebenzyl 2-oxo-1,3-benzoxazole-3-carboxylate
SMILESO=C(OCc1ccccc1)n1c(=O)oc2ccccc21
InChIInChI=1S/C15H11NO4/c17-14(19-10-11-6-2-1-3-7-11)16-12-8-4-5-9-13(12)20-15(16)18/h1-9H,10H2
InChIKeySFLCLOSFHJEHIG-UHFFFAOYSA-N
XLogP2.78
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl 2-oxo-1,3-benzoxazole-3-carboxylate 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

3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one
CID 20965391
(4-bromophenyl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8725724
3-(3-phenylprop-2-enoyl)-1,3-benzoxazol-2-one
CID 54360408
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 2H-azete-1-carboxylate
CID 140983848
3-(5-fluoro-3-hydroxypentanoyl)-1,3-benzoxazol-2-one
CID 59907748
benzyl 3-methoxy-4-methyl-2,5-dioxo-1-benzazepine-1-carboxylate
CID 70092493
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 6-amino-2-oxo-3H-benzimidazole-1-carboxylate
CID 110724011
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl 2,4-dioxopyrrolidine-1-carboxylate
CID 10847223
[4-(phenylcarbamoyl)phenyl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8728157

Frequently Asked Questions

What is the IUPAC name of benzyl 2-oxo-1,3-benzoxazole-3-carboxylate?
The IUPAC name of benzyl 2-oxo-1,3-benzoxazole-3-carboxylate (CID 56688108) is benzyl 2-oxo-1,3-benzoxazole-3-carboxylate.
What is the SMILES notation for benzyl 2-oxo-1,3-benzoxazole-3-carboxylate?
The canonical SMILES for benzyl 2-oxo-1,3-benzoxazole-3-carboxylate is O=C(OCc1ccccc1)n1c(=O)oc2ccccc21.
What is the InChIKey of benzyl 2-oxo-1,3-benzoxazole-3-carboxylate?
The InChIKey is SFLCLOSFHJEHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-14(19-10-11-6-2-1-3-7-11)16-12-8-4-5-9-13(12)20-15(16)18/h1-9H,10H2.
What are the key properties of benzyl 2-oxo-1,3-benzoxazole-3-carboxylate?
benzyl 2-oxo-1,3-benzoxazole-3-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-oxo-1,3-benzoxazole-3-carboxylate is sourced from PubChem (CID 56688108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).