2-[2-(3-fluorophenyl)cyclopropyl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile

C17H17FN4O — CID 166597248

IUPAC2-[2-(3-fluorophenyl)cyclopropyl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CC2c2cccc(F)c2)oc1N1CCNCC1
InChIInChI=1S/C17H17FN4O/c18-12-3-1-2-11(8-12)13-9-14(13)16-21-15(10-19)17(23-16)22-6-4-20-5-7-22/h1-3,8,13-14,20H,4-7,9H2
InChIKeyQAUHFPQLRYSSAS-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.37
Rot. Bonds3

About 2-[2-(3-fluorophenyl)cyclopropyl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile

2-[2-(3-fluorophenyl)cyclopropyl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 166597248) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)cyclopropyl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)cyclopropyl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID166597248
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name2-[2-(3-fluorophenyl)cyclopropyl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CC2c2cccc(F)c2)oc1N1CCNCC1
InChIInChI=1S/C17H17FN4O/c18-12-3-1-2-11(8-12)13-9-14(13)16-21-15(10-19)17(23-16)22-6-4-20-5-7-22/h1-3,8,13-14,20H,4-7,9H2
InChIKeyQAUHFPQLRYSSAS-UHFFFAOYSA-N
XLogP2.37
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-fluorophenyl)cyclopropyl]-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 166597253
5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(1R,2S)-2-phenylcyclopropyl]-1,3-oxazole-4-carbonitrile
CID 99806035
2-[2-(4-fluorophenyl)cyclopropyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile
CID 139582687
2-(2-methoxyphenyl)-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
CID 43828377
2-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
CID 43828382
2-(4-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
CID 661055
5-[[2-(3-fluorophenyl)cyclopropyl]methylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
CID 139582835
(2S)-2-[5-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129342332
5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
CID 16647185
5-[4-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile
CID 46410720
[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 131114074
1-[4-cyano-2-[(4-fluorophenoxy)methyl]-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 1080230

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)cyclopropyl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-[2-(3-fluorophenyl)cyclopropyl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile (CID 166597248) is 2-[2-(3-fluorophenyl)cyclopropyl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-[2-(3-fluorophenyl)cyclopropyl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-[2-(3-fluorophenyl)cyclopropyl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(C2CC2c2cccc(F)c2)oc1N1CCNCC1.
What is the InChIKey of 2-[2-(3-fluorophenyl)cyclopropyl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is QAUHFPQLRYSSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-12-3-1-2-11(8-12)13-9-14(13)16-21-15(10-19)17(23-16)22-6-4-20-5-7-22/h1-3,8,13-14,20H,4-7,9H2.
What are the key properties of 2-[2-(3-fluorophenyl)cyclopropyl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile?
2-[2-(3-fluorophenyl)cyclopropyl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 312.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)cyclopropyl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 166597248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).