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

C23H28N6O3 — CID 648836

IUPACfuran-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C23H28N6O3/c1-17-6-8-18(9-7-17)21(22-24-25-26-29(22)16-19-4-2-14-31-19)27-10-12-28(13-11-27)23(30)20-5-3-15-32-20/h3,5-9,15,19,21H,2,4,10-14,16H2,1H3
InChIKeyUXSQYLZPGDXOHH-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.30
Rot. Bonds6

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

furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 648836) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID648836
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Namefuran-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C23H28N6O3/c1-17-6-8-18(9-7-17)21(22-24-25-26-29(22)16-19-4-2-14-31-19)27-10-12-28(13-11-27)23(30)20-5-3-15-32-20/h3,5-9,15,19,21H,2,4,10-14,16H2,1H3
InChIKeyUXSQYLZPGDXOHH-UHFFFAOYSA-N
XLogP2.30
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

{4-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-butyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 24792460
1-[(3-Benzyl-1,2,4-oxadiazol-5-yl)methyl]-4-(2-furoyl)piperazine
CID 16189788
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-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-piperazin-1-yl}-methanone
CID 648185
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-Chloro-phenyl)-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 655364
(4-{(4-Dimethylamino-phenyl)-[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 655528
3-{(1-tert-Butyl-1H-tetrazol-5-yl)-[4-(furan-2-carbonyl)-piperazin-1-yl]-methyl}-8-methyl-1H-quinolin-2-one
CID 655555
(4-{(4-Fluoro-phenyl)-[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 655575
{4-[(2-Fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 656214
(4-tert-Butyl-benzyl)-(1-cyclopentyl-1H-tetrazol-5-ylmethyl)-furan-2-ylmethyl-amine
CID 1439003

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone (CID 648836) is furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone is Cc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is UXSQYLZPGDXOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-17-6-8-18(9-7-17)21(22-24-25-26-29(22)16-19-4-2-14-31-19)27-10-12-28(13-11-27)23(30)20-5-3-15-32-20/h3,5-9,15,19,21H,2,4,10-14,16H2,1H3.
What are the key properties of furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 436.52 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 648836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).