5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide

C17H17FN4O2 — CID 19327900

IUPAC5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccnn1CCCNC(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C17H17FN4O2/c1-12-7-9-20-22(12)10-2-8-19-17(23)15-11-16(24-21-15)13-3-5-14(18)6-4-13/h3-7,9,11H,2,8,10H2,1H3,(H,19,23)
InChIKeyBEEHOGSDNJYJLZ-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.81
Rot. Bonds6

About 5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide

5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 19327900) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
PubChem CID19327900
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccnn1CCCNC(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C17H17FN4O2/c1-12-7-9-20-22(12)10-2-8-19-17(23)15-11-16(24-21-15)13-3-5-14(18)6-4-13/h3-7,9,11H,2,8,10H2,1H3,(H,19,23)
InChIKeyBEEHOGSDNJYJLZ-UHFFFAOYSA-N
XLogP2.81
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1,2-oxazole-3-carboxamide
CID 19295789
5-(4-fluorophenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 24738316
5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide
CID 127025539
methyl 5-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]pentanoate
CID 121255246
5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
CID 99600147
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19294420
5-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide
CID 121255629
5-(4-fluorophenyl)-N-[5-[3-(methylsulfanylamino)azetidin-1-yl]pentyl]-1,2-oxazole-3-carboxamide
CID 142434206
N-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19290726
N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 121367715
N-[5-[3-(cyanomethylcarbamoyl)azetidin-1-yl]pentyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 135334775
N-[(2S)-butan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 41098446

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide (CID 19327900) is 5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide is Cc1ccnn1CCCNC(=O)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BEEHOGSDNJYJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-12-7-9-20-22(12)10-2-8-19-17(23)15-11-16(24-21-15)13-3-5-14(18)6-4-13/h3-7,9,11H,2,8,10H2,1H3,(H,19,23).
What are the key properties of 5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide?
5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19327900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).