[4-[(4-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone

C22H25ClN6O3 — CID 655364

IUPAC[4-[(4-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C(c2ccc(Cl)cc2)c2nnnn2CC2CCCO2)CC1
InChIInChI=1S/C22H25ClN6O3/c23-17-7-5-16(6-8-17)20(21-24-25-26-29(21)15-18-3-1-13-31-18)27-9-11-28(12-10-27)22(30)19-4-2-14-32-19/h2,4-8,14,18,20H,1,3,9-13,15H2
InChIKeyVBONLWFLPLCHLW-UHFFFAOYSA-N
MW456.93 g/mol
LogP2.65
Rot. Bonds6

About [4-[(4-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[(4-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 655364) has the molecular formula C22H25ClN6O3 and a molecular weight of 456.93 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID655364
Molecular FormulaC22H25ClN6O3
Molecular Weight456.93 g/mol
Exact Mass456.17
IUPAC Name[4-[(4-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C(c2ccc(Cl)cc2)c2nnnn2CC2CCCO2)CC1
InChIInChI=1S/C22H25ClN6O3/c23-17-7-5-16(6-8-17)20(21-24-25-26-29(21)15-18-3-1-13-31-18)27-9-11-28(12-10-27)22(30)19-4-2-14-32-19/h2,4-8,14,18,20H,1,3,9-13,15H2
InChIKeyVBONLWFLPLCHLW-UHFFFAOYSA-N
XLogP2.65
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

{4-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-butyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 24792460
Furan-2-yl-{4-[phenyl-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazin-1-yl}-methanone
CID 646537
Furan-2-yl-(4-{[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-p-tolyl-methyl}-piperazin-1-yl)-methanone
CID 648836
Furan-2-yl-{4-[3-methyl-1-(1-phenethyl-1H-tetrazol-5-yl)-butyl]-piperazin-1-yl}-methanone
CID 650696
(4-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 651772
(4-{(4-Dimethylamino-phenyl)-[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 655528
(4-{(4-Fluoro-phenyl)-[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 655575
N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine
CID 3193684
[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-furan-2-ylmethyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 3193712
(4-{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-p-tolyl-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 3209098
{4-[[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-(4-fluoro-phenyl)-methyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 3209105
Furan-2-yl-{4-[[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-(2-methoxy-phenyl)-methyl]-piperazin-1-yl}-methanone
CID 3209343

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[(4-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 655364) is [4-[(4-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(4-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(4-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(C(c2ccc(Cl)cc2)c2nnnn2CC2CCCO2)CC1.
What is the InChIKey of [4-[(4-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is VBONLWFLPLCHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O3/c23-17-7-5-16(6-8-17)20(21-24-25-26-29(21)15-18-3-1-13-31-18)27-9-11-28(12-10-27)22(30)19-4-2-14-32-19/h2,4-8,14,18,20H,1,3,9-13,15H2.
What are the key properties of [4-[(4-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[(4-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 456.93 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 655364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).