2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide

C16H19F2N5O3 — CID 126769237

IUPAC2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCn1cnc(CNC(=O)N2CCOC(c3cccc(OC(F)F)c3)C2)n1
InChIInChI=1S/C16H19F2N5O3/c1-22-10-20-14(21-22)8-19-16(24)23-5-6-25-13(9-23)11-3-2-4-12(7-11)26-15(17)18/h2-4,7,10,13,15H,5-6,8-9H2,1H3,(H,19,24)
InChIKeySGCUJECAUJHLRT-UHFFFAOYSA-N
MW367.36 g/mol
LogP1.70
Rot. Bonds5

About 2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide

2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide (PubChem CID 126769237) has the molecular formula C16H19F2N5O3 and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
PubChem CID126769237
Molecular FormulaC16H19F2N5O3
Molecular Weight367.36 g/mol
Exact Mass367.15
IUPAC Name2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCn1cnc(CNC(=O)N2CCOC(c3cccc(OC(F)F)c3)C2)n1
InChIInChI=1S/C16H19F2N5O3/c1-22-10-20-14(21-22)8-19-16(24)23-5-6-25-13(9-23)11-3-2-4-12(7-11)26-15(17)18/h2-4,7,10,13,15H,5-6,8-9H2,1H3,(H,19,24)
InChIKeySGCUJECAUJHLRT-UHFFFAOYSA-N
XLogP1.70
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide with MolForge

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Related Compounds

2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 126774661
2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid
CID 120551759
N-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide
CID 75391109
[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 75391940
[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 75391938
(2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine
CID 124883718
3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid
CID 122029359
2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine
CID 156573181
(2S)-2-(3-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]morpholine-4-carboxamide
CID 52516717
(2R)-2-(3-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-carboxamide
CID 95178874
(2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine
CID 124571996
(2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine
CID 124736073

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of 2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide (CID 126769237) is 2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for 2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide is Cn1cnc(CNC(=O)N2CCOC(c3cccc(OC(F)F)c3)C2)n1.
What is the InChIKey of 2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
The InChIKey is SGCUJECAUJHLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O3/c1-22-10-20-14(21-22)8-19-16(24)23-5-6-25-13(9-23)11-3-2-4-12(7-11)26-15(17)18/h2-4,7,10,13,15H,5-6,8-9H2,1H3,(H,19,24).
What are the key properties of 2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide has a molecular weight of 367.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 126769237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).