[2-(carbamoylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate

C17H13N3O5 — CID 7503197

IUPAC[2-(carbamoylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
SMILESNC(=O)NC(=O)COC(=O)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C17H13N3O5/c18-17(23)19-14(21)9-24-16(22)11-6-7-13-12(8-11)15(25-20-13)10-4-2-1-3-5-10/h1-8H,9H2,(H3,18,19,21,23)
InChIKeyZZTJJLYEYKNHCR-UHFFFAOYSA-N
MW339.31 g/mol
LogP1.85
Rot. Bonds4

About [2-(carbamoylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate

[2-(carbamoylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate (PubChem CID 7503197) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
PubChem CID7503197
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
SMILESNC(=O)NC(=O)COC(=O)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C17H13N3O5/c18-17(23)19-14(21)9-24-16(22)11-6-7-13-12(8-11)15(25-20-13)10-4-2-1-3-5-10/h1-8H,9H2,(H3,18,19,21,23)
InChIKeyZZTJJLYEYKNHCR-UHFFFAOYSA-N
XLogP1.85
TPSA124.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate (CID 7503197) is [2-(carbamoylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate is NC(=O)NC(=O)COC(=O)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate?
The InChIKey is ZZTJJLYEYKNHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5/c18-17(23)19-14(21)9-24-16(22)11-6-7-13-12(8-11)15(25-20-13)10-4-2-1-3-5-10/h1-8H,9H2,(H3,18,19,21,23).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate?
[2-(carbamoylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate has a molecular weight of 339.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate is sourced from PubChem (CID 7503197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).