(2-benzamido-2-oxoethyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate

C19H16N2O6 — CID 8727468

IUPAC(2-benzamido-2-oxoethyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
SMILESO=C(COC(=O)CCn1c(=O)oc2ccccc21)NC(=O)c1ccccc1
InChIInChI=1S/C19H16N2O6/c22-16(20-18(24)13-6-2-1-3-7-13)12-26-17(23)10-11-21-14-8-4-5-9-15(14)27-19(21)25/h1-9H,10-12H2,(H,20,22,24)
InChIKeyFMAPPXBAFVFDDS-UHFFFAOYSA-N
MW368.35 g/mol
LogP1.48
Rot. Bonds6

About (2-benzamido-2-oxoethyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate

(2-benzamido-2-oxoethyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate (PubChem CID 8727468) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
PubChem CID8727468
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Name(2-benzamido-2-oxoethyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
SMILESO=C(COC(=O)CCn1c(=O)oc2ccccc21)NC(=O)c1ccccc1
InChIInChI=1S/C19H16N2O6/c22-16(20-18(24)13-6-2-1-3-7-13)12-26-17(23)10-11-21-14-8-4-5-9-15(14)27-19(21)25/h1-9H,10-12H2,(H,20,22,24)
InChIKeyFMAPPXBAFVFDDS-UHFFFAOYSA-N
XLogP1.48
TPSA107.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-bromoanilino)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 27705615
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8728181
[2-(2-ethylanilino)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8727943
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8726328
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 27705765
[4-(phenylcarbamoyl)phenyl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8728157
[2-(3-chloroanilino)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8725899
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8964923
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8645933
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8645953
[2-(2-fluorophenyl)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8726638
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8726558

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate (CID 8727468) is (2-benzamido-2-oxoethyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate is O=C(COC(=O)CCn1c(=O)oc2ccccc21)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
The InChIKey is FMAPPXBAFVFDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6/c22-16(20-18(24)13-6-2-1-3-7-13)12-26-17(23)10-11-21-14-8-4-5-9-15(14)27-19(21)25/h1-9H,10-12H2,(H,20,22,24).
What are the key properties of (2-benzamido-2-oxoethyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
(2-benzamido-2-oxoethyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate has a molecular weight of 368.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate is sourced from PubChem (CID 8727468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).