1-(5-tert-butyltetrazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol

C15H21FN4O2 — CID 71938129

IUPAC1-(5-tert-butyltetrazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
SMILESCC(C)(C)c1nnnn1CC(O)COCc1ccccc1F
InChIInChI=1S/C15H21FN4O2/c1-15(2,3)14-17-18-19-20(14)8-12(21)10-22-9-11-6-4-5-7-13(11)16/h4-7,12,21H,8-10H2,1-3H3
InChIKeyVMJGVAQWOLTRDG-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.69
Rot. Bonds6

About 1-(5-tert-butyltetrazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol

1-(5-tert-butyltetrazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol (PubChem CID 71938129) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-(5-tert-butyltetrazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-(5-tert-butyltetrazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
PubChem CID71938129
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name1-(5-tert-butyltetrazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
SMILESCC(C)(C)c1nnnn1CC(O)COCc1ccccc1F
InChIInChI=1S/C15H21FN4O2/c1-15(2,3)14-17-18-19-20(14)8-12(21)10-22-9-11-6-4-5-7-13(11)16/h4-7,12,21H,8-10H2,1-3H3
InChIKeyVMJGVAQWOLTRDG-UHFFFAOYSA-N
XLogP1.69
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 110877245
(2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 94820762
3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 56823718
(2S)-1-[(2-fluorophenyl)methoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 2314434
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 95352978
(2S)-1-[(2-fluorophenyl)methoxy]-3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 95352976
1-(5-tert-butyl-1,2,4-triazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 167917495
1-[(2-fluorophenyl)methoxy]-3-(4-phenylpyrazol-1-yl)propan-2-ol
CID 109411586
1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103829136
(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 25346087
1-[(2-fluorophenyl)methoxy]-3-(2-phenylimidazol-1-yl)propan-2-ol
CID 111440098
3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide
CID 104580081

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyltetrazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol?
The IUPAC name of 1-(5-tert-butyltetrazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol (CID 71938129) is 1-(5-tert-butyltetrazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol.
What is the SMILES notation for 1-(5-tert-butyltetrazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol?
The canonical SMILES for 1-(5-tert-butyltetrazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol is CC(C)(C)c1nnnn1CC(O)COCc1ccccc1F.
What is the InChIKey of 1-(5-tert-butyltetrazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol?
The InChIKey is VMJGVAQWOLTRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-15(2,3)14-17-18-19-20(14)8-12(21)10-22-9-11-6-4-5-7-13(11)16/h4-7,12,21H,8-10H2,1-3H3.
What are the key properties of 1-(5-tert-butyltetrazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol?
1-(5-tert-butyltetrazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol has a molecular weight of 308.36 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyltetrazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol is sourced from PubChem (CID 71938129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).