4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide

C13H10N2O2 — CID 47262158

IUPAC4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C13H10N2O2/c1-2-7-15-13(16)11-5-3-10(4-6-11)12-8-14-9-17-12/h1,3-6,8-9H,7H2,(H,15,16)
InChIKeyHQGOJNPDUNLKLV-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.70
Rot. Bonds3

About 4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide

4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide (PubChem CID 47262158) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide
PubChem CID47262158
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C13H10N2O2/c1-2-7-15-13(16)11-5-3-10(4-6-11)12-8-14-9-17-12/h1,3-6,8-9H,7H2,(H,15,16)
InChIKeyHQGOJNPDUNLKLV-UHFFFAOYSA-N
XLogP1.70
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methylamino)propyl]-4-(1,3-oxazol-5-yl)benzamide
CID 120826619
N-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide
CID 111428596
1-[4-(1,3-oxazol-5-yl)phenyl]ethanone
CID 22316930
4-(4-ethynylphenyl)-N-prop-2-ynylbenzamide
CID 138484608
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-4-(1,3-oxazol-5-yl)benzamide
CID 95327535
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(1,3-oxazol-5-yl)benzamide
CID 55836198
N-[(3-hydroxythiolan-3-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide
CID 111596930
4-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 60811320
4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide
CID 87412012
2-[[4-(1,3-oxazol-5-yl)benzoyl]amino]-N-propylbenzamide
CID 47049831
tert-butyl 4-[3-[[4-(1,3-oxazol-5-yl)benzoyl]amino]propyl]piperazine-1-carboxylate
CID 55912296
N-(2-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide
CID 75461935

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide?
The IUPAC name of 4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide (CID 47262158) is 4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide.
What is the SMILES notation for 4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide?
The canonical SMILES for 4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide is C#CCNC(=O)c1ccc(-c2cnco2)cc1.
What is the InChIKey of 4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide?
The InChIKey is HQGOJNPDUNLKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-2-7-15-13(16)11-5-3-10(4-6-11)12-8-14-9-17-12/h1,3-6,8-9H,7H2,(H,15,16).
What are the key properties of 4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide?
4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide has a molecular weight of 226.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide is sourced from PubChem (CID 47262158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).