4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide

C13H17N3O3 — CID 115155445

IUPAC4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide
SMILESNCCCC(=O)NCCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O3/c14-6-1-2-12(17)15-7-5-9-3-4-11-10(8-9)16-13(18)19-11/h3-4,8H,1-2,5-7,14H2,(H,15,17)(H,16,18)
InChIKeyNDVSGVQJICCNMD-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.52
Rot. Bonds6

About 4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide

4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide (PubChem CID 115155445) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide
PubChem CID115155445
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide
SMILESNCCCC(=O)NCCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O3/c14-6-1-2-12(17)15-7-5-9-3-4-11-10(8-9)16-13(18)19-11/h3-4,8H,1-2,5-7,14H2,(H,15,17)(H,16,18)
InChIKeyNDVSGVQJICCNMD-UHFFFAOYSA-N
XLogP0.52
TPSA101.12 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 ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115162652
3-cyano-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115173971
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide
CID 110390366
2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115158063
2-(2-fluorophenyl)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110665351
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide
CID 110665315
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110665279
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
5-bromo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]furan-2-carboxamide
CID 110665271
5-[(2-aminoethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 115195344
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopentanecarboxamide
CID 110665286

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide (CID 115155445) is 4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide is NCCCC(=O)NCCc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide?
The InChIKey is NDVSGVQJICCNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-6-1-2-12(17)15-7-5-9-3-4-11-10(8-9)16-13(18)19-11/h3-4,8H,1-2,5-7,14H2,(H,15,17)(H,16,18).
What are the key properties of 4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide?
4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide has a molecular weight of 263.30 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 115155445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).