1-[[(2R)-oxolan-2-yl]methyl]-5-(3-phenylpropyl)tetrazole

C15H20N4O — CID 96563588

IUPAC1-[[(2R)-oxolan-2-yl]methyl]-5-(3-phenylpropyl)tetrazole
SMILESc1ccc(CCCc2nnnn2C[C@H]2CCCO2)cc1
InChIInChI=1S/C15H20N4O/c1-2-6-13(7-3-1)8-4-10-15-16-17-18-19(15)12-14-9-5-11-20-14/h1-3,6-7,14H,4-5,8-12H2/t14-/m1/s1
InChIKeyFHQLGERTIXOAJP-CQSZACIVSA-N
MW272.35 g/mol
LogP2.03
Rot. Bonds6

About 1-[[(2R)-oxolan-2-yl]methyl]-5-(3-phenylpropyl)tetrazole

1-[[(2R)-oxolan-2-yl]methyl]-5-(3-phenylpropyl)tetrazole (PubChem CID 96563588) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[[(2R)-oxolan-2-yl]methyl]-5-(3-phenylpropyl)tetrazole.

Molecular Properties

Compound Name1-[[(2R)-oxolan-2-yl]methyl]-5-(3-phenylpropyl)tetrazole
PubChem CID96563588
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[[(2R)-oxolan-2-yl]methyl]-5-(3-phenylpropyl)tetrazole
SMILESc1ccc(CCCc2nnnn2C[C@H]2CCCO2)cc1
InChIInChI=1S/C15H20N4O/c1-2-6-13(7-3-1)8-4-10-15-16-17-18-19(15)12-14-9-5-11-20-14/h1-3,6-7,14H,4-5,8-12H2/t14-/m1/s1
InChIKeyFHQLGERTIXOAJP-CQSZACIVSA-N
XLogP2.03
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxolan-2-ylmethyl)-5-(3-phenylpropyl)tetrazole
CID 71860522
1-[[(3S)-oxolan-3-yl]methyl]-5-(3-phenylpropyl)tetrazole
CID 96563463
1-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine
CID 861301
N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine
CID 62736301
1-benzyl-5-(oxolan-2-ylmethylsulfanyl)tetrazole
CID 47124186
(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-(2-phenylethyl)azanium
CID 6972374
7-methoxy-3-[[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 1171536
N-[[1-(oxan-2-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62763114
[4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]phenyl]methanamine
CID 82228450
6-methoxy-3-[[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 1171637
1-benzyl-4-[(1S)-3-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]piperazine-1,4-diium
CID 7391920
3-[[benzyl-[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1171412

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-5-(3-phenylpropyl)tetrazole?
The IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-5-(3-phenylpropyl)tetrazole (CID 96563588) is 1-[[(2R)-oxolan-2-yl]methyl]-5-(3-phenylpropyl)tetrazole.
What is the SMILES notation for 1-[[(2R)-oxolan-2-yl]methyl]-5-(3-phenylpropyl)tetrazole?
The canonical SMILES for 1-[[(2R)-oxolan-2-yl]methyl]-5-(3-phenylpropyl)tetrazole is c1ccc(CCCc2nnnn2C[C@H]2CCCO2)cc1.
What is the InChIKey of 1-[[(2R)-oxolan-2-yl]methyl]-5-(3-phenylpropyl)tetrazole?
The InChIKey is FHQLGERTIXOAJP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-6-13(7-3-1)8-4-10-15-16-17-18-19(15)12-14-9-5-11-20-14/h1-3,6-7,14H,4-5,8-12H2/t14-/m1/s1.
What are the key properties of 1-[[(2R)-oxolan-2-yl]methyl]-5-(3-phenylpropyl)tetrazole?
1-[[(2R)-oxolan-2-yl]methyl]-5-(3-phenylpropyl)tetrazole has a molecular weight of 272.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-oxolan-2-yl]methyl]-5-(3-phenylpropyl)tetrazole is sourced from PubChem (CID 96563588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).