5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole

C14H18N4O2 — CID 99826482

IUPAC5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole
SMILESCOc1cccc(-c2nnn(CC[C@@H]3CCCO3)n2)c1
InChIInChI=1S/C14H18N4O2/c1-19-13-5-2-4-11(10-13)14-15-17-18(16-14)8-7-12-6-3-9-20-12/h2,4-5,10,12H,3,6-9H2,1H3/t12-/m0/s1
InChIKeyNICPEIRGCXIVAH-LBPRGKRZSA-N
MW274.32 g/mol
LogP1.92
Rot. Bonds5

About 5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole

5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole (PubChem CID 99826482) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole
PubChem CID99826482
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole
SMILESCOc1cccc(-c2nnn(CC[C@@H]3CCCO3)n2)c1
InChIInChI=1S/C14H18N4O2/c1-19-13-5-2-4-11(10-13)14-15-17-18(16-14)8-7-12-6-3-9-20-12/h2,4-5,10,12H,3,6-9H2,1H3/t12-/m0/s1
InChIKeyNICPEIRGCXIVAH-LBPRGKRZSA-N
XLogP1.92
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(2R)-oxolan-2-yl]ethyl]-5-(phenoxymethyl)tetrazole
CID 100668820
2-[2-(2,5-dimethylphenoxy)ethyl]-5-(3-methoxyphenyl)tetrazole
CID 36657770
2-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethyl]isoindole-1,3-dione
CID 17452041
3-(5-phenyltetrazol-2-yl)propyl 3-[(2S)-oxolan-2-yl]propanoate
CID 95174707
2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780
N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine
CID 62563641
1-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol
CID 53499440
5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole
CID 861082
1-(3-methoxyphenyl)-4-(oxolan-2-yl)butan-1-one
CID 65167309
2-(3-methoxyphenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83253145
2-[2-(4-bromophenyl)sulfonylethyl]-5-(3-methoxyphenyl)tetrazole
CID 60592949
1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone
CID 41176677

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole?
The IUPAC name of 5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole (CID 99826482) is 5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole.
What is the SMILES notation for 5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole?
The canonical SMILES for 5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole is COc1cccc(-c2nnn(CC[C@@H]3CCCO3)n2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole?
The InChIKey is NICPEIRGCXIVAH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-19-13-5-2-4-11(10-13)14-15-17-18(16-14)8-7-12-6-3-9-20-12/h2,4-5,10,12H,3,6-9H2,1H3/t12-/m0/s1.
What are the key properties of 5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole?
5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole has a molecular weight of 274.32 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole is sourced from PubChem (CID 99826482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).