(4-benzylmorpholin-2-yl)methyl 4-(tetrazol-1-yl)benzoate

C20H21N5O3 — CID 55325638

IUPAC(4-benzylmorpholin-2-yl)methyl 4-(tetrazol-1-yl)benzoate
SMILESO=C(OCC1CN(Cc2ccccc2)CCO1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C20H21N5O3/c26-20(17-6-8-18(9-7-17)25-15-21-22-23-25)28-14-19-13-24(10-11-27-19)12-16-4-2-1-3-5-16/h1-9,15,19H,10-14H2
InChIKeyZANHLHAGHSBPJA-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.72
Rot. Bonds6

About (4-benzylmorpholin-2-yl)methyl 4-(tetrazol-1-yl)benzoate

(4-benzylmorpholin-2-yl)methyl 4-(tetrazol-1-yl)benzoate (PubChem CID 55325638) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is (4-benzylmorpholin-2-yl)methyl 4-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name(4-benzylmorpholin-2-yl)methyl 4-(tetrazol-1-yl)benzoate
PubChem CID55325638
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name(4-benzylmorpholin-2-yl)methyl 4-(tetrazol-1-yl)benzoate
SMILESO=C(OCC1CN(Cc2ccccc2)CCO1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C20H21N5O3/c26-20(17-6-8-18(9-7-17)25-15-21-22-23-25)28-14-19-13-24(10-11-27-19)12-16-4-2-1-3-5-16/h1-9,15,19H,10-14H2
InChIKeyZANHLHAGHSBPJA-UHFFFAOYSA-N
XLogP1.72
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
CID 54346550
(4-benzylmorpholin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55479602
4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
CID 67836991
[(2S)-4-benzylmorpholin-2-yl]methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate
CID 97240581
(4-benzylmorpholin-2-yl)methyl 4-imidazol-1-yl-3-nitrobenzoate
CID 78765888
(4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 56586482
ethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride
CID 19983193
[(2R)-4-benzylmorpholin-2-yl]methyl (E)-3-(4-chlorophenyl)prop-2-enoate
CID 95250882
(4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate
CID 55368942
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
(4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate
CID 84602301
(4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate
CID 56586442

Frequently Asked Questions

What is the IUPAC name of (4-benzylmorpholin-2-yl)methyl 4-(tetrazol-1-yl)benzoate?
The IUPAC name of (4-benzylmorpholin-2-yl)methyl 4-(tetrazol-1-yl)benzoate (CID 55325638) is (4-benzylmorpholin-2-yl)methyl 4-(tetrazol-1-yl)benzoate.
What is the SMILES notation for (4-benzylmorpholin-2-yl)methyl 4-(tetrazol-1-yl)benzoate?
The canonical SMILES for (4-benzylmorpholin-2-yl)methyl 4-(tetrazol-1-yl)benzoate is O=C(OCC1CN(Cc2ccccc2)CCO1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of (4-benzylmorpholin-2-yl)methyl 4-(tetrazol-1-yl)benzoate?
The InChIKey is ZANHLHAGHSBPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-20(17-6-8-18(9-7-17)25-15-21-22-23-25)28-14-19-13-24(10-11-27-19)12-16-4-2-1-3-5-16/h1-9,15,19H,10-14H2.
What are the key properties of (4-benzylmorpholin-2-yl)methyl 4-(tetrazol-1-yl)benzoate?
(4-benzylmorpholin-2-yl)methyl 4-(tetrazol-1-yl)benzoate has a molecular weight of 379.42 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylmorpholin-2-yl)methyl 4-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 55325638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).