[3-[1-(2-methoxyphenyl)triazol-4-yl]morpholin-4-yl]-phenylmethanone

C20H20N4O3 — CID 167988722

IUPAC[3-[1-(2-methoxyphenyl)triazol-4-yl]morpholin-4-yl]-phenylmethanone
SMILESCOc1ccccc1-n1cc(C2COCCN2C(=O)c2ccccc2)nn1
InChIInChI=1S/C20H20N4O3/c1-26-19-10-6-5-9-17(19)24-13-16(21-22-24)18-14-27-12-11-23(18)20(25)15-7-3-2-4-8-15/h2-10,13,18H,11-12,14H2,1H3
InChIKeyNZWYWDRXGDFKBF-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.49
Rot. Bonds4

About [3-[1-(2-methoxyphenyl)triazol-4-yl]morpholin-4-yl]-phenylmethanone

[3-[1-(2-methoxyphenyl)triazol-4-yl]morpholin-4-yl]-phenylmethanone (PubChem CID 167988722) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is [3-[1-(2-methoxyphenyl)triazol-4-yl]morpholin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[1-(2-methoxyphenyl)triazol-4-yl]morpholin-4-yl]-phenylmethanone
PubChem CID167988722
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name[3-[1-(2-methoxyphenyl)triazol-4-yl]morpholin-4-yl]-phenylmethanone
SMILESCOc1ccccc1-n1cc(C2COCCN2C(=O)c2ccccc2)nn1
InChIInChI=1S/C20H20N4O3/c1-26-19-10-6-5-9-17(19)24-13-16(21-22-24)18-14-27-12-11-23(18)20(25)15-7-3-2-4-8-15/h2-10,13,18H,11-12,14H2,1H3
InChIKeyNZWYWDRXGDFKBF-UHFFFAOYSA-N
XLogP2.49
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(2-methoxyphenyl)triazol-4-yl]morpholin-4-yl]-phenylmethanone?
The IUPAC name of [3-[1-(2-methoxyphenyl)triazol-4-yl]morpholin-4-yl]-phenylmethanone (CID 167988722) is [3-[1-(2-methoxyphenyl)triazol-4-yl]morpholin-4-yl]-phenylmethanone.
What is the SMILES notation for [3-[1-(2-methoxyphenyl)triazol-4-yl]morpholin-4-yl]-phenylmethanone?
The canonical SMILES for [3-[1-(2-methoxyphenyl)triazol-4-yl]morpholin-4-yl]-phenylmethanone is COc1ccccc1-n1cc(C2COCCN2C(=O)c2ccccc2)nn1.
What is the InChIKey of [3-[1-(2-methoxyphenyl)triazol-4-yl]morpholin-4-yl]-phenylmethanone?
The InChIKey is NZWYWDRXGDFKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-19-10-6-5-9-17(19)24-13-16(21-22-24)18-14-27-12-11-23(18)20(25)15-7-3-2-4-8-15/h2-10,13,18H,11-12,14H2,1H3.
What are the key properties of [3-[1-(2-methoxyphenyl)triazol-4-yl]morpholin-4-yl]-phenylmethanone?
[3-[1-(2-methoxyphenyl)triazol-4-yl]morpholin-4-yl]-phenylmethanone has a molecular weight of 364.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(2-methoxyphenyl)triazol-4-yl]morpholin-4-yl]-phenylmethanone is sourced from PubChem (CID 167988722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).