2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine

C19H21N5O — CID 133354117

IUPAC2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine
SMILESCc1ccc(-n2nnnc2N2CCOC(c3ccccc3C)C2)cc1
InChIInChI=1S/C19H21N5O/c1-14-7-9-16(10-8-14)24-19(20-21-22-24)23-11-12-25-18(13-23)17-6-4-3-5-15(17)2/h3-10,18H,11-13H2,1-2H3
InChIKeyKQMSVSQUTAGZCP-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.86
Rot. Bonds3

About 2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine

2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine (PubChem CID 133354117) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine
PubChem CID133354117
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine
SMILESCc1ccc(-n2nnnc2N2CCOC(c3ccccc3C)C2)cc1
InChIInChI=1S/C19H21N5O/c1-14-7-9-16(10-8-14)24-19(20-21-22-24)23-11-12-25-18(13-23)17-6-4-3-5-15(17)2/h3-10,18H,11-13H2,1-2H3
InChIKeyKQMSVSQUTAGZCP-UHFFFAOYSA-N
XLogP2.86
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 133281997
4-(1-phenyltetrazol-5-yl)-2-thiophen-2-ylmorpholine
CID 133363497
2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine
CID 81211012
4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449904
4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine
CID 133354201
1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid
CID 122051249
4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine
CID 126812435
2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133354231
[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol
CID 47292903
1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine
CID 133277918

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine?
The IUPAC name of 2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine (CID 133354117) is 2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine.
What is the SMILES notation for 2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine?
The canonical SMILES for 2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine is Cc1ccc(-n2nnnc2N2CCOC(c3ccccc3C)C2)cc1.
What is the InChIKey of 2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine?
The InChIKey is KQMSVSQUTAGZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-7-9-16(10-8-14)24-19(20-21-22-24)23-11-12-25-18(13-23)17-6-4-3-5-15(17)2/h3-10,18H,11-13H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine?
2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine has a molecular weight of 335.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine is sourced from PubChem (CID 133354117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).