[4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone

C17H16F2N6O2 — CID 30858277

IUPAC[4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H16F2N6O2/c18-13-4-3-12(10-14(13)19)25-16(20-21-22-25)11-23-5-7-24(8-6-23)17(26)15-2-1-9-27-15/h1-4,9-10H,5-8,11H2
InChIKeyOFPXODNVSTWSEA-UHFFFAOYSA-N
MW374.35 g/mol
LogP1.49
Rot. Bonds4

About [4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 30858277) has the molecular formula C17H16F2N6O2 and a molecular weight of 374.35 g/mol. Its IUPAC name is [4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID30858277
Molecular FormulaC17H16F2N6O2
Molecular Weight374.35 g/mol
Exact Mass374.13
IUPAC Name[4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H16F2N6O2/c18-13-4-3-12(10-14(13)19)25-16(20-21-22-25)11-23-5-7-24(8-6-23)17(26)15-2-1-9-27-15/h1-4,9-10H,5-8,11H2
InChIKeyOFPXODNVSTWSEA-UHFFFAOYSA-N
XLogP1.49
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 30858277) is [4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1.
What is the InChIKey of [4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is OFPXODNVSTWSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O2/c18-13-4-3-12(10-14(13)19)25-16(20-21-22-25)11-23-5-7-24(8-6-23)17(26)15-2-1-9-27-15/h1-4,9-10H,5-8,11H2.
What are the key properties of [4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 374.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 30858277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).