3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide

C13H16N2O3 — CID 110390366

IUPAC3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H16N2O3/c1-2-7-14-12(16)6-4-9-3-5-11-10(8-9)15-13(17)18-11/h3,5,8H,2,4,6-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyROMBPERYEYPFDT-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.58
Rot. Bonds5

About 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide

3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide (PubChem CID 110390366) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide
PubChem CID110390366
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H16N2O3/c1-2-7-14-12(16)6-4-9-3-5-11-10(8-9)15-13(17)18-11/h3,5,8H,2,4,6-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyROMBPERYEYPFDT-UHFFFAOYSA-N
XLogP1.58
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115162652
2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115158063
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-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390393
N-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390399
3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide
CID 110786774
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110390405
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide
CID 110678767
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)methylamino]butanoic acid
CID 82501414
5-[2-(4-oxopentylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 115236711
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide
CID 110665315

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide?
The IUPAC name of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide (CID 110390366) is 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide?
The canonical SMILES for 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide is CCCNC(=O)CCc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide?
The InChIKey is ROMBPERYEYPFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-7-14-12(16)6-4-9-3-5-11-10(8-9)15-13(17)18-11/h3,5,8H,2,4,6-7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide?
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide has a molecular weight of 248.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide is sourced from PubChem (CID 110390366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).