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

C15H14FN3O2 — CID 106376185

IUPAC4-(3-aminoprop-1-ynyl)-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2ccc(C#CCN)c(F)c2)o1
InChIInChI=1S/C15H14FN3O2/c1-10-8-18-14(21-10)9-19-15(20)12-5-4-11(3-2-6-17)13(16)7-12/h4-5,7-8H,6,9,17H2,1H3,(H,19,20)
InChIKeyBFUUGQGZZZJWMG-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.36
Rot. Bonds3

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

4-(3-aminoprop-1-ynyl)-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide (PubChem CID 106376185) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
PubChem CID106376185
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name4-(3-aminoprop-1-ynyl)-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2ccc(C#CCN)c(F)c2)o1
InChIInChI=1S/C15H14FN3O2/c1-10-8-18-14(21-10)9-19-15(20)12-5-4-11(3-2-6-17)13(16)7-12/h4-5,7-8H,6,9,17H2,1H3,(H,19,20)
InChIKeyBFUUGQGZZZJWMG-UHFFFAOYSA-N
XLogP1.36
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-aminoprop-1-ynyl)-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide with MolForge

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Related Compounds

3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376120
4-(3-aminoprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376176
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63244383
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376081
4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-nitrobenzamide
CID 71864161
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480690
4-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 103799883
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79043001
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110660300
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide
CID 62915077
5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106375912
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-phenylbenzamide
CID 110660378

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide (CID 106376185) is 4-(3-aminoprop-1-ynyl)-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide is Cc1cnc(CNC(=O)c2ccc(C#CCN)c(F)c2)o1.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
The InChIKey is BFUUGQGZZZJWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-10-8-18-14(21-10)9-19-15(20)12-5-4-11(3-2-6-17)13(16)7-12/h4-5,7-8H,6,9,17H2,1H3,(H,19,20).
What are the key properties of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
4-(3-aminoprop-1-ynyl)-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide has a molecular weight of 287.29 g/mol, XLogP of 1.36, 3 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-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide is sourced from PubChem (CID 106376185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).