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

C13H11N3O2 — CID 62914525

IUPAC2-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-4-yl)benzamide
SMILESNCC#Cc1ccccc1C(=O)Nc1cnoc1
InChIInChI=1S/C13H11N3O2/c14-7-3-5-10-4-1-2-6-12(10)13(17)16-11-8-15-18-9-11/h1-2,4,6,8-9H,7,14H2,(H,16,17)
InChIKeyOIEGIKBDRVZPKR-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.24
Rot. Bonds2

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

2-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-4-yl)benzamide (PubChem CID 62914525) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-4-yl)benzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-4-yl)benzamide
PubChem CID62914525
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-4-yl)benzamide
SMILESNCC#Cc1ccccc1C(=O)Nc1cnoc1
InChIInChI=1S/C13H11N3O2/c14-7-3-5-10-4-1-2-6-12(10)13(17)16-11-8-15-18-9-11/h1-2,4,6,8-9H,7,14H2,(H,16,17)
InChIKeyOIEGIKBDRVZPKR-UHFFFAOYSA-N
XLogP1.24
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.24
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

4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide
CID 62915077
5-(3-aminoprop-1-ynyl)-2-methyl-N-(1,2-oxazol-4-yl)benzamide
CID 65309930
2-(3-aminoprop-1-ynyl)-N-methylbenzamide
CID 60820705
2-(3-aminoprop-1-ynyl)-N-(3-chloro-4-fluorophenyl)benzamide
CID 60822368
2-(methylamino)-N-(1,2-oxazol-4-yl)benzamide
CID 62913787
N-(1,2-oxazol-4-yl)-2-(trifluoromethyl)benzamide
CID 71797723
3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide
CID 62902054
2-(3-aminoprop-1-ynyl)benzoic acid
CID 67117343
2-(3-aminoprop-1-ynyl)-N-(5-chloro-2-fluorophenyl)benzamide
CID 60821946
2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide
CID 54922361
2-(3-aminoprop-1-ynyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106406816
3-hydrazinyl-2-nitro-N-(1,2-oxazol-4-yl)benzamide
CID 113333612

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-4-yl)benzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-4-yl)benzamide (CID 62914525) is 2-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-4-yl)benzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-4-yl)benzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-4-yl)benzamide is NCC#Cc1ccccc1C(=O)Nc1cnoc1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-4-yl)benzamide?
The InChIKey is OIEGIKBDRVZPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c14-7-3-5-10-4-1-2-6-12(10)13(17)16-11-8-15-18-9-11/h1-2,4,6,8-9H,7,14H2,(H,16,17).
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-4-yl)benzamide?
2-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-4-yl)benzamide has a molecular weight of 241.25 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-4-yl)benzamide is sourced from PubChem (CID 62914525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).