N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide

C13H15N3O4 — CID 110766529

IUPACN-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C13H15N3O4/c1-8(17)14-5-6-15-12(18)9-3-4-10-11(7-9)20-13(19)16(10)2/h3-4,7H,5-6H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyKEOHIWQULLFDDR-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.00
Rot. Bonds4

About N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide

N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide (PubChem CID 110766529) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
PubChem CID110766529
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC NameN-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C13H15N3O4/c1-8(17)14-5-6-15-12(18)9-3-4-10-11(7-9)20-13(19)16(10)2/h3-4,7H,5-6H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyKEOHIWQULLFDDR-UHFFFAOYSA-N
XLogP-0.00
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide
CID 116843326
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766483
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766470
N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766586
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766514
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110796294
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885
N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766493
3-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]benzamide
CID 110792162
3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one
CID 13038876
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766557
N-(1,1-dioxothiolan-3-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766510

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide (CID 110766529) is N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide is CC(=O)NCCNC(=O)c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
The InChIKey is KEOHIWQULLFDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-8(17)14-5-6-15-12(18)9-3-4-10-11(7-9)20-13(19)16(10)2/h3-4,7H,5-6H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide has a molecular weight of 277.28 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110766529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).