2-[4-(1,3-oxazol-2-yl)-4-oxobutyl]benzamide

C14H14N2O3 — CID 173193026

IUPAC2-[4-(1,3-oxazol-2-yl)-4-oxobutyl]benzamide
SMILESNC(=O)c1ccccc1CCCC(=O)c1ncco1
InChIInChI=1S/C14H14N2O3/c15-13(18)11-6-2-1-4-10(11)5-3-7-12(17)14-16-8-9-19-14/h1-2,4,6,8-9H,3,5,7H2,(H2,15,18)
InChIKeyUAUJAXNNJZSSJX-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.98
Rot. Bonds6

About 2-[4-(1,3-oxazol-2-yl)-4-oxobutyl]benzamide

2-[4-(1,3-oxazol-2-yl)-4-oxobutyl]benzamide (PubChem CID 173193026) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[4-(1,3-oxazol-2-yl)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2-[4-(1,3-oxazol-2-yl)-4-oxobutyl]benzamide
PubChem CID173193026
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-[4-(1,3-oxazol-2-yl)-4-oxobutyl]benzamide
SMILESNC(=O)c1ccccc1CCCC(=O)c1ncco1
InChIInChI=1S/C14H14N2O3/c15-13(18)11-6-2-1-4-10(11)5-3-7-12(17)14-16-8-9-19-14/h1-2,4,6,8-9H,3,5,7H2,(H2,15,18)
InChIKeyUAUJAXNNJZSSJX-UHFFFAOYSA-N
XLogP1.98
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 135741565
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CID 24801394
2-butylbenzamide
CID 15468173
2-octylbenzamide
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2-(2-phenoxyethyl)benzamide
CID 68945309
2-[7-(hydroxyamino)-7-oxoheptyl]benzamide
CID 87127603
2-(4-oxo-4-piperidin-1-ylbutyl)benzamide
CID 173169536
2-[4-(cinnolin-3-ylamino)-4-oxobutyl]benzamide
CID 173151841
2-[2-(methylamino)ethyl]benzamide
CID 69094527
2-(4-aminooctyl)benzamide
CID 57359484
2-[3-[(2-bromoacetyl)amino]propyl]benzamide
CID 71433070

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-oxazol-2-yl)-4-oxobutyl]benzamide?
The IUPAC name of 2-[4-(1,3-oxazol-2-yl)-4-oxobutyl]benzamide (CID 173193026) is 2-[4-(1,3-oxazol-2-yl)-4-oxobutyl]benzamide.
What is the SMILES notation for 2-[4-(1,3-oxazol-2-yl)-4-oxobutyl]benzamide?
The canonical SMILES for 2-[4-(1,3-oxazol-2-yl)-4-oxobutyl]benzamide is NC(=O)c1ccccc1CCCC(=O)c1ncco1.
What is the InChIKey of 2-[4-(1,3-oxazol-2-yl)-4-oxobutyl]benzamide?
The InChIKey is UAUJAXNNJZSSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c15-13(18)11-6-2-1-4-10(11)5-3-7-12(17)14-16-8-9-19-14/h1-2,4,6,8-9H,3,5,7H2,(H2,15,18).
What are the key properties of 2-[4-(1,3-oxazol-2-yl)-4-oxobutyl]benzamide?
2-[4-(1,3-oxazol-2-yl)-4-oxobutyl]benzamide has a molecular weight of 258.28 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-oxazol-2-yl)-4-oxobutyl]benzamide is sourced from PubChem (CID 173193026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).