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

C23H21FN4O — CID 73253923

IUPAC5-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CC2c2ccccc2)oc1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H21FN4O/c24-19-8-4-5-9-21(19)27-10-12-28(13-11-27)23-20(15-25)26-22(29-23)18-14-17(18)16-6-2-1-3-7-16/h1-9,17-18H,10-14H2
InChIKeyPVZKFLZDANJKRA-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.28
Rot. Bonds4

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

5-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile (PubChem CID 73253923) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 5-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile
PubChem CID73253923
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name5-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CC2c2ccccc2)oc1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H21FN4O/c24-19-8-4-5-9-21(19)27-10-12-28(13-11-27)23-20(15-25)26-22(29-23)18-14-17(18)16-6-2-1-3-7-16/h1-9,17-18H,10-14H2
InChIKeyPVZKFLZDANJKRA-UHFFFAOYSA-N
XLogP4.28
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile (CID 73253923) is 5-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(C2CC2c2ccccc2)oc1N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 5-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is PVZKFLZDANJKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c24-19-8-4-5-9-21(19)27-10-12-28(13-11-27)23-20(15-25)26-22(29-23)18-14-17(18)16-6-2-1-3-7-16/h1-9,17-18H,10-14H2.
What are the key properties of 5-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile?
5-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 388.45 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 73253923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).