N-formyl-2-[2-oxo-6-(2-oxoethyl)-1,3-benzoxazol-3-yl]pentanamide

C15H16N2O5 — CID 166948241

IUPACN-formyl-2-[2-oxo-6-(2-oxoethyl)-1,3-benzoxazol-3-yl]pentanamide
SMILESCCCC(C(=O)NC=O)n1c(=O)oc2cc(CC=O)ccc21
InChIInChI=1S/C15H16N2O5/c1-2-3-12(14(20)16-9-19)17-11-5-4-10(6-7-18)8-13(11)22-15(17)21/h4-5,7-9,12H,2-3,6H2,1H3,(H,16,19,20)
InChIKeyFBBWAGCPYJUMID-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.95
Rot. Bonds7

About N-formyl-2-[2-oxo-6-(2-oxoethyl)-1,3-benzoxazol-3-yl]pentanamide

N-formyl-2-[2-oxo-6-(2-oxoethyl)-1,3-benzoxazol-3-yl]pentanamide (PubChem CID 166948241) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is N-formyl-2-[2-oxo-6-(2-oxoethyl)-1,3-benzoxazol-3-yl]pentanamide.

Molecular Properties

Compound NameN-formyl-2-[2-oxo-6-(2-oxoethyl)-1,3-benzoxazol-3-yl]pentanamide
PubChem CID166948241
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC NameN-formyl-2-[2-oxo-6-(2-oxoethyl)-1,3-benzoxazol-3-yl]pentanamide
SMILESCCCC(C(=O)NC=O)n1c(=O)oc2cc(CC=O)ccc21
InChIInChI=1S/C15H16N2O5/c1-2-3-12(14(20)16-9-19)17-11-5-4-10(6-7-18)8-13(11)22-15(17)21/h4-5,7-9,12H,2-3,6H2,1H3,(H,16,19,20)
InChIKeyFBBWAGCPYJUMID-UHFFFAOYSA-N
XLogP0.95
TPSA98.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-formyl-2-[2-oxo-6-(2-oxoethyl)-1,3-benzoxazol-3-yl]pentanamide?
The IUPAC name of N-formyl-2-[2-oxo-6-(2-oxoethyl)-1,3-benzoxazol-3-yl]pentanamide (CID 166948241) is N-formyl-2-[2-oxo-6-(2-oxoethyl)-1,3-benzoxazol-3-yl]pentanamide.
What is the SMILES notation for N-formyl-2-[2-oxo-6-(2-oxoethyl)-1,3-benzoxazol-3-yl]pentanamide?
The canonical SMILES for N-formyl-2-[2-oxo-6-(2-oxoethyl)-1,3-benzoxazol-3-yl]pentanamide is CCCC(C(=O)NC=O)n1c(=O)oc2cc(CC=O)ccc21.
What is the InChIKey of N-formyl-2-[2-oxo-6-(2-oxoethyl)-1,3-benzoxazol-3-yl]pentanamide?
The InChIKey is FBBWAGCPYJUMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-2-3-12(14(20)16-9-19)17-11-5-4-10(6-7-18)8-13(11)22-15(17)21/h4-5,7-9,12H,2-3,6H2,1H3,(H,16,19,20).
What are the key properties of N-formyl-2-[2-oxo-6-(2-oxoethyl)-1,3-benzoxazol-3-yl]pentanamide?
N-formyl-2-[2-oxo-6-(2-oxoethyl)-1,3-benzoxazol-3-yl]pentanamide has a molecular weight of 304.30 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-2-[2-oxo-6-(2-oxoethyl)-1,3-benzoxazol-3-yl]pentanamide is sourced from PubChem (CID 166948241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).