[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-(furan-2-ylmethyl)-[[(2S)-oxolan-2-yl]methyl]azanium

C23H29FN5O2+ — CID 7140960

IUPAC[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-(furan-2-ylmethyl)-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESFc1ccc([C@@H](c2nnnn2C2CCCC2)[NH+](Cc2ccco2)C[C@@H]2CCCO2)cc1
InChIInChI=1S/C23H28FN5O2/c24-18-11-9-17(10-12-18)22(23-25-26-27-29(23)19-5-1-2-6-19)28(15-20-7-3-13-30-20)16-21-8-4-14-31-21/h3,7,9-13,19,21-22H,1-2,4-6,8,14-16H2/p+1/t21-,22-/m0/s1
InChIKeyXZKBAIGDVBKDCM-VXKWHMMOSA-O
MW426.52 g/mol
LogP2.87
Rot. Bonds8

About [(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-(furan-2-ylmethyl)-[[(2S)-oxolan-2-yl]methyl]azanium

[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-(furan-2-ylmethyl)-[[(2S)-oxolan-2-yl]methyl]azanium (PubChem CID 7140960) has the molecular formula C23H29FN5O2+ and a molecular weight of 426.52 g/mol. Its IUPAC name is [(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-(furan-2-ylmethyl)-[[(2S)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-(furan-2-ylmethyl)-[[(2S)-oxolan-2-yl]methyl]azanium
PubChem CID7140960
Molecular FormulaC23H29FN5O2+
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-(furan-2-ylmethyl)-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESFc1ccc([C@@H](c2nnnn2C2CCCC2)[NH+](Cc2ccco2)C[C@@H]2CCCO2)cc1
InChIInChI=1S/C23H28FN5O2/c24-18-11-9-17(10-12-18)22(23-25-26-27-29(23)19-5-1-2-6-19)28(15-20-7-3-13-30-20)16-21-8-4-14-31-21/h3,7,9-13,19,21-22H,1-2,4-6,8,14-16H2/p+1/t21-,22-/m0/s1
InChIKeyXZKBAIGDVBKDCM-VXKWHMMOSA-O
XLogP2.87
TPSA70.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-(furan-2-ylmethyl)-[[(2S)-oxolan-2-yl]methyl]azanium with MolForge

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Related Compounds

1-Cyclopentyl-4-[1-(1-furan-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 644666
Furan-2-yl-(4-{[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-p-tolyl-methyl}-piperazin-1-yl)-methanone
CID 648836
[(1-tert-Butyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-furan-2-ylmethyl-(3-methoxy-benzyl)-amine
CID 648894
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-Fluoro-phenyl)-[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 655575
(4-tert-Butyl-benzyl)-(1-cyclopentyl-1H-tetrazol-5-ylmethyl)-furan-2-ylmethyl-amine
CID 1439003
N-Cyclopentyl-2-(4-fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-acetamide
CID 3174716
2-(4-Fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3175006
N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]butanamide
CID 3178683
N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)-2-tetrazolyl]-1-oxoethyl]-(2-furanylmethyl)amino]hexanamide
CID 3180044
[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-furan-2-ylmethyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 3193712

Frequently Asked Questions

What is the IUPAC name of [(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-(furan-2-ylmethyl)-[[(2S)-oxolan-2-yl]methyl]azanium?
The IUPAC name of [(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-(furan-2-ylmethyl)-[[(2S)-oxolan-2-yl]methyl]azanium (CID 7140960) is [(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-(furan-2-ylmethyl)-[[(2S)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for [(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-(furan-2-ylmethyl)-[[(2S)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for [(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-(furan-2-ylmethyl)-[[(2S)-oxolan-2-yl]methyl]azanium is Fc1ccc([C@@H](c2nnnn2C2CCCC2)[NH+](Cc2ccco2)C[C@@H]2CCCO2)cc1.
What is the InChIKey of [(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-(furan-2-ylmethyl)-[[(2S)-oxolan-2-yl]methyl]azanium?
The InChIKey is XZKBAIGDVBKDCM-VXKWHMMOSA-O. The full InChI is InChI=1S/C23H28FN5O2/c24-18-11-9-17(10-12-18)22(23-25-26-27-29(23)19-5-1-2-6-19)28(15-20-7-3-13-30-20)16-21-8-4-14-31-21/h3,7,9-13,19,21-22H,1-2,4-6,8,14-16H2/p+1/t21-,22-/m0/s1.
What are the key properties of [(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-(furan-2-ylmethyl)-[[(2S)-oxolan-2-yl]methyl]azanium?
[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-(furan-2-ylmethyl)-[[(2S)-oxolan-2-yl]methyl]azanium has a molecular weight of 426.52 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-(furan-2-ylmethyl)-[[(2S)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 7140960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).