[3,4-dimethyl-2-(tetrazol-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone

C20H21N5O2 — CID 51044543

IUPAC[3,4-dimethyl-2-(tetrazol-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone
SMILESCc1ccc(C(=O)N2CCOC(c3ccccc3)C2)c(-n2cnnn2)c1C
InChIInChI=1S/C20H21N5O2/c1-14-8-9-17(19(15(14)2)25-13-21-22-23-25)20(26)24-10-11-27-18(12-24)16-6-4-3-5-7-16/h3-9,13,18H,10-12H2,1-2H3
InChIKeyJWHYTUKOBIFVMJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.49
Rot. Bonds3

About [3,4-dimethyl-2-(tetrazol-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone

[3,4-dimethyl-2-(tetrazol-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone (PubChem CID 51044543) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is [3,4-dimethyl-2-(tetrazol-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[3,4-dimethyl-2-(tetrazol-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone
PubChem CID51044543
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name[3,4-dimethyl-2-(tetrazol-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone
SMILESCc1ccc(C(=O)N2CCOC(c3ccccc3)C2)c(-n2cnnn2)c1C
InChIInChI=1S/C20H21N5O2/c1-14-8-9-17(19(15(14)2)25-13-21-22-23-25)20(26)24-10-11-27-18(12-24)16-6-4-3-5-7-16/h3-9,13,18H,10-12H2,1-2H3
InChIKeyJWHYTUKOBIFVMJ-UHFFFAOYSA-N
XLogP2.49
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)propan-1-one
CID 125432054
(4-methylphenyl)-[2-[(2R)-2-phenylmorpholine-4-carbonyl]phenyl]methanone
CID 35271482
[(2R)-2-phenylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 96558365
(2S)-2-phenyl-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone
CID 96558413
(2,4-dichlorophenyl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 25281298
[2-(4-methylphenyl)morpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121134814
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylmorpholin-4-yl)methanone
CID 47021336
[1-(4-methylphenyl)triazol-4-yl]-(2-phenylmorpholin-4-yl)methanone
CID 86985839
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
[4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 31415549
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 35270139
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-phenylmorpholin-4-yl)methanone
CID 52996803

Frequently Asked Questions

What is the IUPAC name of [3,4-dimethyl-2-(tetrazol-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of [3,4-dimethyl-2-(tetrazol-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone (CID 51044543) is [3,4-dimethyl-2-(tetrazol-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for [3,4-dimethyl-2-(tetrazol-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for [3,4-dimethyl-2-(tetrazol-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone is Cc1ccc(C(=O)N2CCOC(c3ccccc3)C2)c(-n2cnnn2)c1C.
What is the InChIKey of [3,4-dimethyl-2-(tetrazol-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is JWHYTUKOBIFVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14-8-9-17(19(15(14)2)25-13-21-22-23-25)20(26)24-10-11-27-18(12-24)16-6-4-3-5-7-16/h3-9,13,18H,10-12H2,1-2H3.
What are the key properties of [3,4-dimethyl-2-(tetrazol-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone?
[3,4-dimethyl-2-(tetrazol-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 363.42 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dimethyl-2-(tetrazol-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 51044543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).