5-[5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile

C15H10FN5O — CID 122478638

IUPAC5-[5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1nc(-c2cccc(F)c2)oc1C1CC1
InChIInChI=1S/C15H10FN5O/c16-10-3-1-2-9(6-10)15-18-13(14(22-15)8-4-5-8)12-11(7-17)19-21-20-12/h1-3,6,8H,4-5H2,(H,19,20,21)
InChIKeyHDPNXFZZCBTANL-UHFFFAOYSA-N
MW295.28 g/mol
LogP3.01
Rot. Bonds3

About 5-[5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile

5-[5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile (PubChem CID 122478638) has the molecular formula C15H10FN5O and a molecular weight of 295.28 g/mol. Its IUPAC name is 5-[5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-[5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile
PubChem CID122478638
Molecular FormulaC15H10FN5O
Molecular Weight295.28 g/mol
Exact Mass295.09
IUPAC Name5-[5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1nc(-c2cccc(F)c2)oc1C1CC1
InChIInChI=1S/C15H10FN5O/c16-10-3-1-2-9(6-10)15-18-13(14(22-15)8-4-5-8)12-11(7-17)19-21-20-12/h1-3,6,8H,4-5H2,(H,19,20,21)
InChIKeyHDPNXFZZCBTANL-UHFFFAOYSA-N
XLogP3.01
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile
CID 122478675
5-[2-(3-chloro-4-fluorophenyl)-5-cyclohexyl-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile
CID 122478615
methyl 5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 122476852
5-[6-(3,4-difluorophenyl)-2-pyridinyl]-2H-triazole-4-carbonitrile
CID 122478783
2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile
CID 46313536
5-[3-(2-fluoro-3-pyridinyl)phenyl]-2H-triazole-4-carbonitrile
CID 122479393
5-[3-(1-benzofuran-5-yl)phenyl]-2H-triazole-4-carbonitrile
CID 122479316
5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841042
5-[3-(7-fluoro-1-benzothiophen-2-yl)phenyl]-2H-triazole-4-carbonitrile
CID 122477871
5-[3-(cyclohexyloxymethyl)phenyl]-2H-triazole-4-carbonitrile
CID 122477362
2-(3-fluorophenyl)-5-[[(2R)-2-phenylbutyl]amino]-1,3-oxazole-4-carbonitrile
CID 98004987
5-[3-[(2,6-difluorophenyl)methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122477779

Frequently Asked Questions

What is the IUPAC name of 5-[5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile?
The IUPAC name of 5-[5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile (CID 122478638) is 5-[5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-[5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-[5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile is N#Cc1n[nH]nc1-c1nc(-c2cccc(F)c2)oc1C1CC1.
What is the InChIKey of 5-[5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile?
The InChIKey is HDPNXFZZCBTANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5O/c16-10-3-1-2-9(6-10)15-18-13(14(22-15)8-4-5-8)12-11(7-17)19-21-20-12/h1-3,6,8H,4-5H2,(H,19,20,21).
What are the key properties of 5-[5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile?
5-[5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile has a molecular weight of 295.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile is sourced from PubChem (CID 122478638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).