(1-cyclopentyltetrazol-5-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium

C20H30N5O2+ — CID 7140994

IUPAC(1-cyclopentyltetrazol-5-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESCOc1cccc(C[NH+](Cc2nnnn2C2CCCC2)C[C@H]2CCCO2)c1
InChIInChI=1S/C20H29N5O2/c1-26-18-9-4-6-16(12-18)13-24(14-19-10-5-11-27-19)15-20-21-22-23-25(20)17-7-2-3-8-17/h4,6,9,12,17,19H,2-3,5,7-8,10-11,13-15H2,1H3/p+1/t19-/m1/s1
InChIKeyPVWGRWURLVVGRS-LJQANCHMSA-O
MW372.49 g/mol
LogP1.56
Rot. Bonds8

About (1-cyclopentyltetrazol-5-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium

(1-cyclopentyltetrazol-5-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium (PubChem CID 7140994) has the molecular formula C20H30N5O2+ and a molecular weight of 372.49 g/mol. Its IUPAC name is (1-cyclopentyltetrazol-5-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name(1-cyclopentyltetrazol-5-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium
PubChem CID7140994
Molecular FormulaC20H30N5O2+
Molecular Weight372.49 g/mol
Exact Mass372.24
IUPAC Name(1-cyclopentyltetrazol-5-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESCOc1cccc(C[NH+](Cc2nnnn2C2CCCC2)C[C@H]2CCCO2)c1
InChIInChI=1S/C20H29N5O2/c1-26-18-9-4-6-16(12-18)13-24(14-19-10-5-11-27-19)15-20-21-22-23-25(20)17-7-2-3-8-17/h4,6,9,12,17,19H,2-3,5,7-8,10-11,13-15H2,1H3/p+1/t19-/m1/s1
InChIKeyPVWGRWURLVVGRS-LJQANCHMSA-O
XLogP1.56
TPSA66.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1-cyclopentyltetrazol-5-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium with MolForge

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Related Compounds

2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780
3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 3186331
(2R)-4-cyclohexyl-2-[(3-methoxyphenyl)methyl]morpholine
CID 25376241
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 97189206
(4-tert-butylphenyl)methyl-[(1-cyclohexyltetrazol-5-yl)methyl]-(furan-2-ylmethyl)azanium
CID 7140935
5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole
CID 99826482
3-[(S)-(1-cyclopentyltetrazol-5-yl)-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 28608281
N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide
CID 87894906
(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-(2-phenylethyl)azanium
CID 6972374
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86826034
1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 47133588
(1-cyclopentyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 6972371

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentyltetrazol-5-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium?
The IUPAC name of (1-cyclopentyltetrazol-5-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium (CID 7140994) is (1-cyclopentyltetrazol-5-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for (1-cyclopentyltetrazol-5-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for (1-cyclopentyltetrazol-5-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium is COc1cccc(C[NH+](Cc2nnnn2C2CCCC2)C[C@H]2CCCO2)c1.
What is the InChIKey of (1-cyclopentyltetrazol-5-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium?
The InChIKey is PVWGRWURLVVGRS-LJQANCHMSA-O. The full InChI is InChI=1S/C20H29N5O2/c1-26-18-9-4-6-16(12-18)13-24(14-19-10-5-11-27-19)15-20-21-22-23-25(20)17-7-2-3-8-17/h4,6,9,12,17,19H,2-3,5,7-8,10-11,13-15H2,1H3/p+1/t19-/m1/s1.
What are the key properties of (1-cyclopentyltetrazol-5-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium?
(1-cyclopentyltetrazol-5-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium has a molecular weight of 372.49 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentyltetrazol-5-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 7140994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).