4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine

C18H16F3N5O — CID 133449904

IUPAC4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)c1ccc(C2CN(c3nnnn3-c3ccccc3)CCO2)cc1
InChIInChI=1S/C18H16F3N5O/c19-18(20,21)14-8-6-13(7-9-14)16-12-25(10-11-27-16)17-22-23-24-26(17)15-4-2-1-3-5-15/h1-9,16H,10-12H2
InChIKeyVHTWBYWGAXWHIK-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.26
Rot. Bonds3

About 4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine

4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine (PubChem CID 133449904) has the molecular formula C18H16F3N5O and a molecular weight of 375.35 g/mol. Its IUPAC name is 4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
PubChem CID133449904
Molecular FormulaC18H16F3N5O
Molecular Weight375.35 g/mol
Exact Mass375.13
IUPAC Name4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)c1ccc(C2CN(c3nnnn3-c3ccccc3)CCO2)cc1
InChIInChI=1S/C18H16F3N5O/c19-18(20,21)14-8-6-13(7-9-14)16-12-25(10-11-27-16)17-22-23-24-26(17)15-4-2-1-3-5-15/h1-9,16H,10-12H2
InChIKeyVHTWBYWGAXWHIK-UHFFFAOYSA-N
XLogP3.26
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-phenyltetrazol-5-yl)-2-thiophen-2-ylmorpholine
CID 133363497
4-[1-(4-methylphenyl)tetrazol-5-yl]-2-phenyl-1,4-oxazepane
CID 138998130
(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(1-phenyltetrazol-5-yl)morpholine
CID 124744190
2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine
CID 81211012
2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine
CID 133354117
4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449940
4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449879
1-(1-phenyltetrazol-5-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 9292723
1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
4-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449960
(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 102986512
1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
CID 97262694

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine (CID 133449904) is 4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine is FC(F)(F)c1ccc(C2CN(c3nnnn3-c3ccccc3)CCO2)cc1.
What is the InChIKey of 4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is VHTWBYWGAXWHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O/c19-18(20,21)14-8-6-13(7-9-14)16-12-25(10-11-27-16)17-22-23-24-26(17)15-4-2-1-3-5-15/h1-9,16H,10-12H2.
What are the key properties of 4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 375.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 133449904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).