3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxolan-3-ol

C19H18F3N5O2 — CID 135372054

IUPAC3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxolan-3-ol
SMILESOC1(Cn2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)n2)CCOC1
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)13-5-7-14(8-6-13)23-16-4-2-1-3-15(16)17-24-26-27(25-17)11-18(28)9-10-29-12-18/h1-8,23,28H,9-12H2
InChIKeyIIQWLTPQGVYTDE-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.25
Rot. Bonds5

About 3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxolan-3-ol

3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxolan-3-ol (PubChem CID 135372054) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is 3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxolan-3-ol
PubChem CID135372054
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxolan-3-ol
SMILESOC1(Cn2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)n2)CCOC1
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)13-5-7-14(8-6-13)23-16-4-2-1-3-15(16)17-24-26-27(25-17)11-18(28)9-10-29-12-18/h1-8,23,28H,9-12H2
InChIKeyIIQWLTPQGVYTDE-UHFFFAOYSA-N
XLogP3.25
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxan-3-ol
CID 135371571
1-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexanol
CID 135371580
2-[2-[(2R,3R)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135371672
2-[5-[5-Ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135371690
2-[2-[(2S,3S)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135371700
1-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol
CID 135371787
2-[5-[3-Fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135372018
1-Phenyl-3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]piperidin-3-ol
CID 135372050
2-[5-[4-Fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135372104
3-[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol
CID 135372120
2-[2-(2-methoxycyclopentyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372121
3-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]azetidin-3-ol
CID 135372123

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxolan-3-ol?
The IUPAC name of 3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxolan-3-ol (CID 135372054) is 3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxolan-3-ol is OC1(Cn2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)n2)CCOC1.
What is the InChIKey of 3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxolan-3-ol?
The InChIKey is IIQWLTPQGVYTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c20-19(21,22)13-5-7-14(8-6-13)23-16-4-2-1-3-15(16)17-24-26-27(25-17)11-18(28)9-10-29-12-18/h1-8,23,28H,9-12H2.
What are the key properties of 3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxolan-3-ol?
3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxolan-3-ol has a molecular weight of 405.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxolan-3-ol is sourced from PubChem (CID 135372054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).