2-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile

C19H17FN4O3 — CID 43828382

IUPAC2-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(COc3ccc(F)cc3)o2)oc1N1CCNCC1
InChIInChI=1S/C19H17FN4O3/c20-13-1-3-14(4-2-13)25-12-15-5-6-17(26-15)18-23-16(11-21)19(27-18)24-9-7-22-8-10-24/h1-6,22H,7-10,12H2
InChIKeyGPVBBXOHLQLIHN-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.93
Rot. Bonds5

About 2-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile

2-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 43828382) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID43828382
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name2-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(COc3ccc(F)cc3)o2)oc1N1CCNCC1
InChIInChI=1S/C19H17FN4O3/c20-13-1-3-14(4-2-13)25-12-15-5-6-17(26-15)18-23-16(11-21)19(27-18)24-9-7-22-8-10-24/h1-6,22H,7-10,12H2
InChIKeyGPVBBXOHLQLIHN-UHFFFAOYSA-N
XLogP2.93
TPSA87.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile (CID 43828382) is 2-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccc(COc3ccc(F)cc3)o2)oc1N1CCNCC1.
What is the InChIKey of 2-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is GPVBBXOHLQLIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c20-13-1-3-14(4-2-13)25-12-15-5-6-17(26-15)18-23-16(11-21)19(27-18)24-9-7-22-8-10-24/h1-6,22H,7-10,12H2.
What are the key properties of 2-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile?
2-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 368.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 43828382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).