1-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol

C15H21N5O3 — CID 53499440

IUPAC1-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1cccc(-c2nnn(CC(O)CN3CCOCC3)n2)c1
InChIInChI=1S/C15H21N5O3/c1-22-14-4-2-3-12(9-14)15-16-18-20(17-15)11-13(21)10-19-5-7-23-8-6-19/h2-4,9,13,21H,5-8,10-11H2,1H3
InChIKeyOBQUDZGJCUGZSU-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.04
Rot. Bonds6

About 1-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol

1-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 53499440) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol
PubChem CID53499440
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name1-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1cccc(-c2nnn(CC(O)CN3CCOCC3)n2)c1
InChIInChI=1S/C15H21N5O3/c1-22-14-4-2-3-12(9-14)15-16-18-20(17-15)11-13(21)10-19-5-7-23-8-6-19/h2-4,9,13,21H,5-8,10-11H2,1H3
InChIKeyOBQUDZGJCUGZSU-UHFFFAOYSA-N
XLogP0.04
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-1-[5-(3-chlorophenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol
CID 95575927
1-(3-methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 2770236
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 46979968
(2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-yl-2-phenylethanone
CID 41041165
1-(4-methylpiperidin-1-yl)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 56820200
5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole
CID 99826482
(2R)-1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94817374
1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 51094188
1-(2,6-dimethylmorpholin-4-yl)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 56799359
2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111032217
5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole
CID 861082
1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate
CID 2913104

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol (CID 53499440) is 1-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol is COc1cccc(-c2nnn(CC(O)CN3CCOCC3)n2)c1.
What is the InChIKey of 1-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is OBQUDZGJCUGZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-22-14-4-2-3-12(9-14)15-16-18-20(17-15)11-13(21)10-19-5-7-23-8-6-19/h2-4,9,13,21H,5-8,10-11H2,1H3.
What are the key properties of 1-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol?
1-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 319.37 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 53499440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).