2-(2-chlorophenoxy)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone

C15H17ClN4O3 — CID 128974587

IUPAC2-(2-chlorophenoxy)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
SMILESCn1cnnc1C1CN(C(=O)COc2ccccc2Cl)CCO1
InChIInChI=1S/C15H17ClN4O3/c1-19-10-17-18-15(19)13-8-20(6-7-22-13)14(21)9-23-12-5-3-2-4-11(12)16/h2-5,10,13H,6-9H2,1H3
InChIKeyZTQRBQWWPGIDRO-UHFFFAOYSA-N
MW336.78 g/mol
LogP1.45
Rot. Bonds4

About 2-(2-chlorophenoxy)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone

2-(2-chlorophenoxy)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone (PubChem CID 128974587) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
PubChem CID128974587
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC Name2-(2-chlorophenoxy)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
SMILESCn1cnnc1C1CN(C(=O)COc2ccccc2Cl)CCO1
InChIInChI=1S/C15H17ClN4O3/c1-19-10-17-18-15(19)13-8-20(6-7-22-13)14(21)9-23-12-5-3-2-4-11(12)16/h2-5,10,13H,6-9H2,1H3
InChIKeyZTQRBQWWPGIDRO-UHFFFAOYSA-N
XLogP1.45
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenoxy)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone
CID 110102605
1-[2-(2-chlorophenyl)morpholin-4-yl]-2-(2-methoxyphenoxy)ethanone
CID 110326874
2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 31414964
(2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone
CID 129328732
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
(4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129328081
(5-chloro-2-methoxyphenyl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128967021
(2S)-N-[(2-methylphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
CID 129328598
1-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-methylphenoxy)ethanone
CID 129006398
(3-methoxy-4-methylphenyl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129006421
2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 110364507
(3S)-3-(3-fluorophenyl)-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one
CID 129342102

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone (CID 128974587) is 2-(2-chlorophenoxy)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone is Cn1cnnc1C1CN(C(=O)COc2ccccc2Cl)CCO1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The InChIKey is ZTQRBQWWPGIDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-19-10-17-18-15(19)13-8-20(6-7-22-13)14(21)9-23-12-5-3-2-4-11(12)16/h2-5,10,13H,6-9H2,1H3.
What are the key properties of 2-(2-chlorophenoxy)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
2-(2-chlorophenoxy)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone has a molecular weight of 336.78 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 128974587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).