(2-methoxy-5-methylphenyl)-[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone

C15H18N4O3 — CID 166280653

IUPAC(2-methoxy-5-methylphenyl)-[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
SMILESCOc1ccc(C)cc1C(=O)N1CCOC(c2ncn[nH]2)C1
InChIInChI=1S/C15H18N4O3/c1-10-3-4-12(21-2)11(7-10)15(20)19-5-6-22-13(8-19)14-16-9-17-18-14/h3-4,7,9,13H,5-6,8H2,1-2H3,(H,16,17,18)
InChIKeyZJNBPJFVARJJCS-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.34
Rot. Bonds3

About (2-methoxy-5-methylphenyl)-[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone

(2-methoxy-5-methylphenyl)-[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (PubChem CID 166280653) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)-[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)-[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
PubChem CID166280653
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name(2-methoxy-5-methylphenyl)-[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
SMILESCOc1ccc(C)cc1C(=O)N1CCOC(c2ncn[nH]2)C1
InChIInChI=1S/C15H18N4O3/c1-10-3-4-12(21-2)11(7-10)15(20)19-5-6-22-13(8-19)14-16-9-17-18-14/h3-4,7,9,13H,5-6,8H2,1-2H3,(H,16,17,18)
InChIKeyZJNBPJFVARJJCS-UHFFFAOYSA-N
XLogP1.34
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-aminoethyl)morpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 81484012
(5-fluoro-2-methoxyphenyl)-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 124963745
(2-methoxyphenyl)-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110326509
(2,5-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 84544929
4-[4-(5-fluoro-2-methoxybenzoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844530
(2-methoxy-5-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426724
[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
CID 166280661
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-methoxy-5-methylphenyl)methanone
CID 66212578
(5-fluoro-2-methoxyphenyl)-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124941841
[2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 166249087
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone
CID 146042813
(5-chloro-2-methoxyphenyl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128967021

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)-[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of (2-methoxy-5-methylphenyl)-[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (CID 166280653) is (2-methoxy-5-methylphenyl)-[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-methoxy-5-methylphenyl)-[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for (2-methoxy-5-methylphenyl)-[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone is COc1ccc(C)cc1C(=O)N1CCOC(c2ncn[nH]2)C1.
What is the InChIKey of (2-methoxy-5-methylphenyl)-[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is ZJNBPJFVARJJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-10-3-4-12(21-2)11(7-10)15(20)19-5-6-22-13(8-19)14-16-9-17-18-14/h3-4,7,9,13H,5-6,8H2,1-2H3,(H,16,17,18).
What are the key properties of (2-methoxy-5-methylphenyl)-[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
(2-methoxy-5-methylphenyl)-[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 302.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)-[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 166280653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).