5-(3-aminoprop-1-ynyl)-2-methyl-N-(1,2-oxazol-4-yl)benzamide

C14H13N3O2 — CID 65309930

IUPAC5-(3-aminoprop-1-ynyl)-2-methyl-N-(1,2-oxazol-4-yl)benzamide
SMILESCc1ccc(C#CCN)cc1C(=O)Nc1cnoc1
InChIInChI=1S/C14H13N3O2/c1-10-4-5-11(3-2-6-15)7-13(10)14(18)17-12-8-16-19-9-12/h4-5,7-9H,6,15H2,1H3,(H,17,18)
InChIKeyJLRUHKHYYSPCMC-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.55
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-2-methyl-N-(1,2-oxazol-4-yl)benzamide

5-(3-aminoprop-1-ynyl)-2-methyl-N-(1,2-oxazol-4-yl)benzamide (PubChem CID 65309930) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-2-methyl-N-(1,2-oxazol-4-yl)benzamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-2-methyl-N-(1,2-oxazol-4-yl)benzamide
PubChem CID65309930
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-(3-aminoprop-1-ynyl)-2-methyl-N-(1,2-oxazol-4-yl)benzamide
SMILESCc1ccc(C#CCN)cc1C(=O)Nc1cnoc1
InChIInChI=1S/C14H13N3O2/c1-10-4-5-11(3-2-6-15)7-13(10)14(18)17-12-8-16-19-9-12/h4-5,7-9H,6,15H2,1H3,(H,17,18)
InChIKeyJLRUHKHYYSPCMC-UHFFFAOYSA-N
XLogP1.55
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.55
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

5-(3-aminoprop-1-ynyl)-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 65311305
2-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-4-yl)benzamide
CID 62914525
5-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)-2-methylbenzamide
CID 65310829
N-[4-(3-aminoprop-1-ynyl)phenyl]-5-chloro-2-methylbenzamide
CID 82874678
5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310729
5-(3-aminoprop-1-ynyl)-N-(2-fluorophenyl)-2-methylbenzamide
CID 65310924
5-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)-2-methylbenzamide
CID 65310396
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide
CID 62915077
N-[4-(3-aminoprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60803408
5-(3-aminoprop-1-ynyl)-2-methyl-N-(oxan-4-yl)benzamide
CID 65310974
5-(3-aminoprop-1-ynyl)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 65310134
5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide
CID 65310682

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-2-methyl-N-(1,2-oxazol-4-yl)benzamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-2-methyl-N-(1,2-oxazol-4-yl)benzamide (CID 65309930) is 5-(3-aminoprop-1-ynyl)-2-methyl-N-(1,2-oxazol-4-yl)benzamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-2-methyl-N-(1,2-oxazol-4-yl)benzamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-2-methyl-N-(1,2-oxazol-4-yl)benzamide is Cc1ccc(C#CCN)cc1C(=O)Nc1cnoc1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-2-methyl-N-(1,2-oxazol-4-yl)benzamide?
The InChIKey is JLRUHKHYYSPCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-10-4-5-11(3-2-6-15)7-13(10)14(18)17-12-8-16-19-9-12/h4-5,7-9H,6,15H2,1H3,(H,17,18).
What are the key properties of 5-(3-aminoprop-1-ynyl)-2-methyl-N-(1,2-oxazol-4-yl)benzamide?
5-(3-aminoprop-1-ynyl)-2-methyl-N-(1,2-oxazol-4-yl)benzamide has a molecular weight of 255.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-2-methyl-N-(1,2-oxazol-4-yl)benzamide is sourced from PubChem (CID 65309930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).