4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzamide

C15H14FN3O2 — CID 65482558

IUPAC4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzamide
SMILESCc1noc(NC(=O)c2ccc(C#CCN)cc2F)c1C
InChIInChI=1S/C15H14FN3O2/c1-9-10(2)19-21-15(9)18-14(20)12-6-5-11(4-3-7-17)8-13(12)16/h5-6,8H,7,17H2,1-2H3,(H,18,20)
InChIKeyYAIIXEAEMQBZGJ-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.99
Rot. Bonds2

About 4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzamide

4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzamide (PubChem CID 65482558) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzamide
PubChem CID65482558
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzamide
SMILESCc1noc(NC(=O)c2ccc(C#CCN)cc2F)c1C
InChIInChI=1S/C15H14FN3O2/c1-9-10(2)19-21-15(9)18-14(20)12-6-5-11(4-3-7-17)8-13(12)16/h5-6,8H,7,17H2,1-2H3,(H,18,20)
InChIKeyYAIIXEAEMQBZGJ-UHFFFAOYSA-N
XLogP1.99
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.99
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)-2-fluoro-N-(1,2-oxazol-3-yl)benzamide
CID 62902537
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 60821186
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(1-methylpyrazol-3-yl)benzamide
CID 60822421
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 107595348
2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 60817061
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106422440
4-(3-aminoprop-1-ynyl)-2-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 60822006
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 54921728
4-(3-aminoprop-1-ynyl)-2-fluoro-N-heptan-2-ylbenzamide
CID 61466718
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 65481168
5-(3-aminoprop-1-ynyl)-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 65311305
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 65481556

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzamide (CID 65482558) is 4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzamide is Cc1noc(NC(=O)c2ccc(C#CCN)cc2F)c1C.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzamide?
The InChIKey is YAIIXEAEMQBZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-9-10(2)19-21-15(9)18-14(20)12-6-5-11(4-3-7-17)8-13(12)16/h5-6,8H,7,17H2,1-2H3,(H,18,20).
What are the key properties of 4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzamide?
4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzamide has a molecular weight of 287.29 g/mol, XLogP of 1.99, 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)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzamide is sourced from PubChem (CID 65482558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).