1-(2,6-dimethylmorpholin-4-yl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propan-2-ol

C16H22FN5O2 — CID 56799360

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propan-2-ol
SMILESCC1CN(CC(O)Cn2nnc(-c3cccc(F)c3)n2)CC(C)O1
InChIInChI=1S/C16H22FN5O2/c1-11-7-21(8-12(2)24-11)9-15(23)10-22-19-16(18-20-22)13-4-3-5-14(17)6-13/h3-6,11-12,15,23H,7-10H2,1-2H3
InChIKeyVDZNNQYJHLHZDE-UHFFFAOYSA-N
MW335.38 g/mol
LogP0.95
Rot. Bonds5

About 1-(2,6-dimethylmorpholin-4-yl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propan-2-ol

1-(2,6-dimethylmorpholin-4-yl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propan-2-ol (PubChem CID 56799360) has the molecular formula C16H22FN5O2 and a molecular weight of 335.38 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propan-2-ol
PubChem CID56799360
Molecular FormulaC16H22FN5O2
Molecular Weight335.38 g/mol
Exact Mass335.18
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propan-2-ol
SMILESCC1CN(CC(O)Cn2nnc(-c3cccc(F)c3)n2)CC(C)O1
InChIInChI=1S/C16H22FN5O2/c1-11-7-21(8-12(2)24-11)9-15(23)10-22-19-16(18-20-22)13-4-3-5-14(17)6-13/h3-6,11-12,15,23H,7-10H2,1-2H3
InChIKeyVDZNNQYJHLHZDE-UHFFFAOYSA-N
XLogP0.95
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 56799359
(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-thiophen-3-yltetrazol-2-yl)propan-2-ol
CID 100730462
1-(2,6-dimethylmorpholin-4-yl)-3-(3-fluorophenoxy)propan-2-ol
CID 59563430
1-(4-methylpiperidin-1-yl)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 56820200
(2R)-1-[5-(3-chlorophenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol
CID 95575927
1-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol
CID 53499440
1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 110905244
2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 30823221
N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 41436763
1-(2,5-difluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 109415726
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methylcyclohexyl)acetamide
CID 7491136
1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
CID 8676792

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propan-2-ol?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propan-2-ol (CID 56799360) is 1-(2,6-dimethylmorpholin-4-yl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propan-2-ol is CC1CN(CC(O)Cn2nnc(-c3cccc(F)c3)n2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propan-2-ol?
The InChIKey is VDZNNQYJHLHZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5O2/c1-11-7-21(8-12(2)24-11)9-15(23)10-22-19-16(18-20-22)13-4-3-5-14(17)6-13/h3-6,11-12,15,23H,7-10H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propan-2-ol?
1-(2,6-dimethylmorpholin-4-yl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propan-2-ol has a molecular weight of 335.38 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propan-2-ol is sourced from PubChem (CID 56799360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).