1-(2,5-dimethoxyphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone

C21H23N5O4 — CID 1136683

IUPAC1-(2,5-dimethoxyphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone
SMILESCOc1ccc(OC)c(C(=O)Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C21H23N5O4/c1-28-17-7-8-20(29-2)18(13-17)19(27)14-26-23-21(22-24-26)15-3-5-16(6-4-15)25-9-11-30-12-10-25/h3-8,13H,9-12,14H2,1-2H3
InChIKeyUTAJIRPVPVNECC-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.08
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone

1-(2,5-dimethoxyphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone (PubChem CID 1136683) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone
PubChem CID1136683
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone
SMILESCOc1ccc(OC)c(C(=O)Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C21H23N5O4/c1-28-17-7-8-20(29-2)18(13-17)19(27)14-26-23-21(22-24-26)15-3-5-16(6-4-15)25-9-11-30-12-10-25/h3-8,13H,9-12,14H2,1-2H3
InChIKeyUTAJIRPVPVNECC-UHFFFAOYSA-N
XLogP2.08
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone (CID 1136683) is 1-(2,5-dimethoxyphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone is COc1ccc(OC)c(C(=O)Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone?
The InChIKey is UTAJIRPVPVNECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-28-17-7-8-20(29-2)18(13-17)19(27)14-26-23-21(22-24-26)15-3-5-16(6-4-15)25-9-11-30-12-10-25/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone?
1-(2,5-dimethoxyphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone has a molecular weight of 409.45 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 1136683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).