(4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

C16H20N4O3 — CID 129328081

IUPAC(4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCO[C@@H](c3nncn3C)C2)cc1
InChIInChI=1S/C16H20N4O3/c1-3-22-13-6-4-12(5-7-13)16(21)20-8-9-23-14(10-20)15-18-17-11-19(15)2/h4-7,11,14H,3,8-10H2,1-2H3/t14-/m1/s1
InChIKeyASCOPMRBPYWKDT-CQSZACIVSA-N
MW316.36 g/mol
LogP1.43
Rot. Bonds4

About (4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

(4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (PubChem CID 129328081) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
PubChem CID129328081
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCO[C@@H](c3nncn3C)C2)cc1
InChIInChI=1S/C16H20N4O3/c1-3-22-13-6-4-12(5-7-13)16(21)20-8-9-23-14(10-20)15-18-17-11-19(15)2/h4-7,11,14H,3,8-10H2,1-2H3/t14-/m1/s1
InChIKeyASCOPMRBPYWKDT-CQSZACIVSA-N
XLogP1.43
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methoxy-4-methylphenyl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129006421
(4-ethoxyphenyl)-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134773
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129329680
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383
(4-tert-butyl-1,3-thiazol-5-yl)-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129338537
(5-chloro-2-methoxyphenyl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128967021
2-(2-chlorophenoxy)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 128974587
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765
1-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-methylphenoxy)ethanone
CID 129006398
[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 129329531
[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 129329530
1,3-benzodioxol-5-yl-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129339118

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (CID 129328081) is (4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is CCOc1ccc(C(=O)N2CCO[C@@H](c3nncn3C)C2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is ASCOPMRBPYWKDT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-22-13-6-4-12(5-7-13)16(21)20-8-9-23-14(10-20)15-18-17-11-19(15)2/h4-7,11,14H,3,8-10H2,1-2H3/t14-/m1/s1.
What are the key properties of (4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
(4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 316.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129328081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).