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

C13H10FN3O2 — CID 62915077

IUPAC4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide
SMILESNCC#Cc1ccc(C(=O)Nc2cnoc2)cc1F
InChIInChI=1S/C13H10FN3O2/c14-12-6-10(4-3-9(12)2-1-5-15)13(18)17-11-7-16-19-8-11/h3-4,6-8H,5,15H2,(H,17,18)
InChIKeyPZTRQXPDCKLFJZ-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.38
Rot. Bonds2

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

4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide (PubChem CID 62915077) has the molecular formula C13H10FN3O2 and a molecular weight of 259.24 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide
PubChem CID62915077
Molecular FormulaC13H10FN3O2
Molecular Weight259.24 g/mol
Exact Mass259.08
IUPAC Name4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide
SMILESNCC#Cc1ccc(C(=O)Nc2cnoc2)cc1F
InChIInChI=1S/C13H10FN3O2/c14-12-6-10(4-3-9(12)2-1-5-15)13(18)17-11-7-16-19-8-11/h3-4,6-8H,5,15H2,(H,17,18)
InChIKeyPZTRQXPDCKLFJZ-UHFFFAOYSA-N
XLogP1.38
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.38
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

2-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-4-yl)benzamide
CID 62914525
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480690
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide
CID 65436068
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylfuran-3-carboxamide
CID 114822220
3,5-difluoro-4-hydrazinyl-N-(1,2-oxazol-4-yl)benzamide
CID 63186618
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1,2-oxazole-3-carboxamide
CID 65435499
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79043001
5-(3-aminoprop-1-ynyl)-2-methyl-N-(1,2-oxazol-4-yl)benzamide
CID 65309930
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 65437841
4-(3-aminoprop-1-ynyl)-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376185
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide
CID 104780865
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 65436071

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide (CID 62915077) is 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide is NCC#Cc1ccc(C(=O)Nc2cnoc2)cc1F.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide?
The InChIKey is PZTRQXPDCKLFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2/c14-12-6-10(4-3-9(12)2-1-5-15)13(18)17-11-7-16-19-8-11/h3-4,6-8H,5,15H2,(H,17,18).
What are the key properties of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide?
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide has a molecular weight of 259.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide is sourced from PubChem (CID 62915077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).