(2R)-1-(5-tert-butyltetrazol-1-yl)-3-naphthalen-1-yloxypropan-2-ol

C18H22N4O2 — CID 94333689

IUPAC(2R)-1-(5-tert-butyltetrazol-1-yl)-3-naphthalen-1-yloxypropan-2-ol
SMILESCC(C)(C)c1nnnn1C[C@@H](O)COc1cccc2ccccc12
InChIInChI=1S/C18H22N4O2/c1-18(2,3)17-19-20-21-22(17)11-14(23)12-24-16-10-6-8-13-7-4-5-9-15(13)16/h4-10,14,23H,11-12H2,1-3H3/t14-/m1/s1
InChIKeyAOFOVUOUAQUAKP-CQSZACIVSA-N
MW326.40 g/mol
LogP2.56
Rot. Bonds5

About (2R)-1-(5-tert-butyltetrazol-1-yl)-3-naphthalen-1-yloxypropan-2-ol

(2R)-1-(5-tert-butyltetrazol-1-yl)-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 94333689) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2R)-1-(5-tert-butyltetrazol-1-yl)-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(5-tert-butyltetrazol-1-yl)-3-naphthalen-1-yloxypropan-2-ol
PubChem CID94333689
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(2R)-1-(5-tert-butyltetrazol-1-yl)-3-naphthalen-1-yloxypropan-2-ol
SMILESCC(C)(C)c1nnnn1C[C@@H](O)COc1cccc2ccccc12
InChIInChI=1S/C18H22N4O2/c1-18(2,3)17-19-20-21-22(17)11-14(23)12-24-16-10-6-8-13-7-4-5-9-15(13)16/h4-10,14,23H,11-12H2,1-3H3/t14-/m1/s1
InChIKeyAOFOVUOUAQUAKP-CQSZACIVSA-N
XLogP2.56
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,2,3-benzotriazin-4-one
CID 17469213
1-(5-tert-butyltetrazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 71938129
1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 3076139
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
(2R)-1-(2-methylphenoxy)-3-(5-pyridin-2-yltetrazol-1-yl)propan-2-ol
CID 95776103
1-naphthalen-1-yloxy-3-(2-propylimidazol-1-yl)propan-2-ol
CID 109411288
1-naphthalen-1-yloxy-3-(4-nitroimidazol-1-yl)propan-2-ol
CID 42948829
(2R)-1-(3-methylbenzimidazol-3-ium-1-yl)-3-naphthalen-1-yloxypropan-2-ol
CID 40503008
1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one
CID 52566005
4-amino-1-naphthalen-1-yloxybutan-2-ol
CID 86215876
1-naphthalen-1-yloxyundecan-2-ol
CID 2793899
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-tert-butyltetrazol-1-yl)-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of (2R)-1-(5-tert-butyltetrazol-1-yl)-3-naphthalen-1-yloxypropan-2-ol (CID 94333689) is (2R)-1-(5-tert-butyltetrazol-1-yl)-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-(5-tert-butyltetrazol-1-yl)-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-(5-tert-butyltetrazol-1-yl)-3-naphthalen-1-yloxypropan-2-ol is CC(C)(C)c1nnnn1C[C@@H](O)COc1cccc2ccccc12.
What is the InChIKey of (2R)-1-(5-tert-butyltetrazol-1-yl)-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is AOFOVUOUAQUAKP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-18(2,3)17-19-20-21-22(17)11-14(23)12-24-16-10-6-8-13-7-4-5-9-15(13)16/h4-10,14,23H,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-1-(5-tert-butyltetrazol-1-yl)-3-naphthalen-1-yloxypropan-2-ol?
(2R)-1-(5-tert-butyltetrazol-1-yl)-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 326.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-tert-butyltetrazol-1-yl)-3-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 94333689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).