3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-3-yl)benzamide

C14H11FN2O3 — CID 62904657

IUPAC3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-3-yl)benzamide
SMILESO=C(Nc1ccon1)c1ccc(C#CCCO)c(F)c1
InChIInChI=1S/C14H11FN2O3/c15-12-9-11(5-4-10(12)3-1-2-7-18)14(19)16-13-6-8-20-17-13/h4-6,8-9,18H,2,7H2,(H,16,17,19)
InChIKeyWKFKXVRHJWURNM-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.80
Rot. Bonds3

About 3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-3-yl)benzamide

3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-3-yl)benzamide (PubChem CID 62904657) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is 3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-3-yl)benzamide
PubChem CID62904657
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-3-yl)benzamide
SMILESO=C(Nc1ccon1)c1ccc(C#CCCO)c(F)c1
InChIInChI=1S/C14H11FN2O3/c15-12-9-11(5-4-10(12)3-1-2-7-18)14(19)16-13-6-8-20-17-13/h4-6,8-9,18H,2,7H2,(H,16,17,19)
InChIKeyWKFKXVRHJWURNM-UHFFFAOYSA-N
XLogP1.80
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
CID 65435087
4-fluoro-N-(1,2-oxazol-3-yl)-3-(trifluoromethyl)benzamide
CID 55131451
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480690
3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(oxolan-3-yl)benzamide
CID 80712752
3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(thiolan-3-yl)benzamide
CID 103064415
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 65481556
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1,2-oxazole-3-carboxamide
CID 65435499
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide
CID 65435657
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide
CID 62915077
N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]pyrimidine-5-carboxamide
CID 102922448
4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 62903600
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide
CID 65436053

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-3-yl)benzamide?
The IUPAC name of 3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-3-yl)benzamide (CID 62904657) is 3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-3-yl)benzamide is O=C(Nc1ccon1)c1ccc(C#CCCO)c(F)c1.
What is the InChIKey of 3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-3-yl)benzamide?
The InChIKey is WKFKXVRHJWURNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-12-9-11(5-4-10(12)3-1-2-7-18)14(19)16-13-6-8-20-17-13/h4-6,8-9,18H,2,7H2,(H,16,17,19).
What are the key properties of 3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-3-yl)benzamide?
3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-3-yl)benzamide has a molecular weight of 274.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 62904657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).