2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide

C13H17N3O3 — CID 115158063

IUPAC2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
SMILESCCNCC(=O)NCCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O3/c1-2-14-8-12(17)15-6-5-9-3-4-11-10(7-9)16-13(18)19-11/h3-4,7,14H,2,5-6,8H2,1H3,(H,15,17)(H,16,18)
InChIKeyNUZYKLSIOFGGLI-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.39
Rot. Bonds6

About 2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide

2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide (PubChem CID 115158063) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
PubChem CID115158063
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
SMILESCCNCC(=O)NCCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O3/c1-2-14-8-12(17)15-6-5-9-3-4-11-10(7-9)16-13(18)19-11/h3-4,7,14H,2,5-6,8H2,1H3,(H,15,17)(H,16,18)
InChIKeyNUZYKLSIOFGGLI-UHFFFAOYSA-N
XLogP0.39
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]acetamide
CID 115157922
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide
CID 110390366
3-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115162652
4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide
CID 115155445
3-cyano-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115173971
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide
CID 110665315
2-(2-fluorophenyl)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110665351
2-(2-methylphenoxy)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110665357
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110665279
N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158058
5-[2-(4-oxopentylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 115236711
4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide
CID 110665296

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide (CID 115158063) is 2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide is CCNCC(=O)NCCc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide?
The InChIKey is NUZYKLSIOFGGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-14-8-12(17)15-6-5-9-3-4-11-10(7-9)16-13(18)19-11/h3-4,7,14H,2,5-6,8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide?
2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide has a molecular weight of 263.30 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 115158063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).