2-[2-[(2R)-oxolan-2-yl]ethyl]-5-(phenoxymethyl)tetrazole

C14H18N4O2 — CID 100668820

IUPAC2-[2-[(2R)-oxolan-2-yl]ethyl]-5-(phenoxymethyl)tetrazole
SMILESc1ccc(OCc2nnn(CC[C@H]3CCCO3)n2)cc1
InChIInChI=1S/C14H18N4O2/c1-2-5-12(6-3-1)20-11-14-15-17-18(16-14)9-8-13-7-4-10-19-13/h1-3,5-6,13H,4,7-11H2/t13-/m1/s1
InChIKeyQETNBPCYQJTACJ-CYBMUJFWSA-N
MW274.32 g/mol
LogP1.82
Rot. Bonds6

About 2-[2-[(2R)-oxolan-2-yl]ethyl]-5-(phenoxymethyl)tetrazole

2-[2-[(2R)-oxolan-2-yl]ethyl]-5-(phenoxymethyl)tetrazole (PubChem CID 100668820) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[2-[(2R)-oxolan-2-yl]ethyl]-5-(phenoxymethyl)tetrazole.

Molecular Properties

Compound Name2-[2-[(2R)-oxolan-2-yl]ethyl]-5-(phenoxymethyl)tetrazole
PubChem CID100668820
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[2-[(2R)-oxolan-2-yl]ethyl]-5-(phenoxymethyl)tetrazole
SMILESc1ccc(OCc2nnn(CC[C@H]3CCCO3)n2)cc1
InChIInChI=1S/C14H18N4O2/c1-2-5-12(6-3-1)20-11-14-15-17-18(16-14)9-8-13-7-4-10-19-13/h1-3,5-6,13H,4,7-11H2/t13-/m1/s1
InChIKeyQETNBPCYQJTACJ-CYBMUJFWSA-N
XLogP1.82
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]benzamide
CID 122143714
5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole
CID 99826482
3-(5-phenyltetrazol-2-yl)propyl 3-[(2S)-oxolan-2-yl]propanoate
CID 95174707
N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine
CID 62563641
2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)tetrazole
CID 86817102
1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole
CID 119034768
6-oxo-N-[2-(oxolan-2-yl)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55572205
3-[2-(oxolan-2-yl)ethyl]-4-phenyl-1,2,4-triazole
CID 115393361
N-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 51296072
3-chloro-4-[2-(oxan-2-yl)ethyl]-5-phenyl-1,2,4-triazole
CID 106002947
(2R)-2-(2-phenylmethoxyethyl)oxolane
CID 71119139
N-[2-(oxolan-2-yl)ethyl]-3-phenoxypropanamide
CID 75871156

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-oxolan-2-yl]ethyl]-5-(phenoxymethyl)tetrazole?
The IUPAC name of 2-[2-[(2R)-oxolan-2-yl]ethyl]-5-(phenoxymethyl)tetrazole (CID 100668820) is 2-[2-[(2R)-oxolan-2-yl]ethyl]-5-(phenoxymethyl)tetrazole.
What is the SMILES notation for 2-[2-[(2R)-oxolan-2-yl]ethyl]-5-(phenoxymethyl)tetrazole?
The canonical SMILES for 2-[2-[(2R)-oxolan-2-yl]ethyl]-5-(phenoxymethyl)tetrazole is c1ccc(OCc2nnn(CC[C@H]3CCCO3)n2)cc1.
What is the InChIKey of 2-[2-[(2R)-oxolan-2-yl]ethyl]-5-(phenoxymethyl)tetrazole?
The InChIKey is QETNBPCYQJTACJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-5-12(6-3-1)20-11-14-15-17-18(16-14)9-8-13-7-4-10-19-13/h1-3,5-6,13H,4,7-11H2/t13-/m1/s1.
What are the key properties of 2-[2-[(2R)-oxolan-2-yl]ethyl]-5-(phenoxymethyl)tetrazole?
2-[2-[(2R)-oxolan-2-yl]ethyl]-5-(phenoxymethyl)tetrazole has a molecular weight of 274.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-oxolan-2-yl]ethyl]-5-(phenoxymethyl)tetrazole is sourced from PubChem (CID 100668820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).