(2R)-2-methyl-4-[3-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxamide

C15H17N5O3 — CID 95839705

IUPAC(2R)-2-methyl-4-[3-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxamide
SMILESC[C@]1(C(N)=O)CN(C(=O)c2cccc(-n3cnnc3)c2)CCO1
InChIInChI=1S/C15H17N5O3/c1-15(14(16)22)8-19(5-6-23-15)13(21)11-3-2-4-12(7-11)20-9-17-18-10-20/h2-4,7,9-10H,5-6,8H2,1H3,(H2,16,22)/t15-/m1/s1
InChIKeyFRIDYMCPGQXPOD-OAHLLOKOSA-N
MW315.33 g/mol
LogP-0.02
Rot. Bonds3

About (2R)-2-methyl-4-[3-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxamide

(2R)-2-methyl-4-[3-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxamide (PubChem CID 95839705) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is (2R)-2-methyl-4-[3-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-4-[3-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxamide
PubChem CID95839705
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name(2R)-2-methyl-4-[3-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxamide
SMILESC[C@]1(C(N)=O)CN(C(=O)c2cccc(-n3cnnc3)c2)CCO1
InChIInChI=1S/C15H17N5O3/c1-15(14(16)22)8-19(5-6-23-15)13(21)11-3-2-4-12(7-11)20-9-17-18-10-20/h2-4,7,9-10H,5-6,8H2,1H3,(H2,16,22)/t15-/m1/s1
InChIKeyFRIDYMCPGQXPOD-OAHLLOKOSA-N
XLogP-0.02
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
CID 125009721
(2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide
CID 95838161
(2R)-2-methyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 95815549
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 110108008
(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-methylmorpholine-2-carboxamide
CID 95839579
(2R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-2-methylmorpholine-2-carboxamide
CID 124997751
3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43593165
2-methyl-4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholine-2-carboxamide
CID 110268384
[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72877183
(2R)-4-(7-fluoro-1H-indole-2-carbonyl)-2-methylmorpholine-2-carboxamide
CID 124990260
(2R)-4-(2-methoxypyridine-3-carbonyl)-2-methylmorpholine-2-carboxamide
CID 125015588
4-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide
CID 110090396

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-[3-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-2-methyl-4-[3-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxamide (CID 95839705) is (2R)-2-methyl-4-[3-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-2-methyl-4-[3-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-2-methyl-4-[3-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxamide is C[C@]1(C(N)=O)CN(C(=O)c2cccc(-n3cnnc3)c2)CCO1.
What is the InChIKey of (2R)-2-methyl-4-[3-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxamide?
The InChIKey is FRIDYMCPGQXPOD-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-15(14(16)22)8-19(5-6-23-15)13(21)11-3-2-4-12(7-11)20-9-17-18-10-20/h2-4,7,9-10H,5-6,8H2,1H3,(H2,16,22)/t15-/m1/s1.
What are the key properties of (2R)-2-methyl-4-[3-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxamide?
(2R)-2-methyl-4-[3-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxamide has a molecular weight of 315.33 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-[3-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxamide is sourced from PubChem (CID 95839705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).