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

C14H18N2O3 — CID 110786713

IUPAC2-ethyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C14H18N2O3/c1-3-10(4-2)13(17)15-8-9-5-6-12-11(7-9)16-14(18)19-12/h5-7,10H,3-4,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyNCUBPQRAXFCGMJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.17
Rot. Bonds5

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

2-ethyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide (PubChem CID 110786713) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-ethyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
PubChem CID110786713
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-ethyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C14H18N2O3/c1-3-10(4-2)13(17)15-8-9-5-6-12-11(7-9)16-14(18)19-12/h5-7,10H,3-4,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyNCUBPQRAXFCGMJ-UHFFFAOYSA-N
XLogP2.17
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
CID 115176424
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-2-phenylacetamide
CID 110786737
3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786718
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide
CID 110786705
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773952
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)methylamino]butanoic acid
CID 82501414
3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786732
1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea
CID 110775568
2-(hydroxymethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 115186381
5-(hydrazinylmethyl)-3H-1,3-benzoxazol-2-one
CID 116932358
1-(aminomethyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 115182711
N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide
CID 110786460

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide?
The IUPAC name of 2-ethyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide (CID 110786713) is 2-ethyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide is CCC(CC)C(=O)NCc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 2-ethyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide?
The InChIKey is NCUBPQRAXFCGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-10(4-2)13(17)15-8-9-5-6-12-11(7-9)16-14(18)19-12/h5-7,10H,3-4,8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-ethyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide?
2-ethyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide has a molecular weight of 262.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide is sourced from PubChem (CID 110786713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).