4-benzyl-2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one

C20H23N5O3 — CID 56708853

IUPAC4-benzyl-2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCc1ocnc1C(=O)N1CCC(c2nn(C)c(=O)n2Cc2ccccc2)CC1
InChIInChI=1S/C20H23N5O3/c1-14-17(21-13-28-14)19(26)24-10-8-16(9-11-24)18-22-23(2)20(27)25(18)12-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3
InChIKeyKEOUMHAYNKGFSP-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.95
Rot. Bonds4

About 4-benzyl-2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one

4-benzyl-2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 56708853) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-benzyl-2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-benzyl-2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID56708853
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name4-benzyl-2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCc1ocnc1C(=O)N1CCC(c2nn(C)c(=O)n2Cc2ccccc2)CC1
InChIInChI=1S/C20H23N5O3/c1-14-17(21-13-28-14)19(26)24-10-8-16(9-11-24)18-22-23(2)20(27)25(18)12-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3
InChIKeyKEOUMHAYNKGFSP-UHFFFAOYSA-N
XLogP1.95
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-benzyl-2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one with MolForge

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Related Compounds

4-benzyl-2-methyl-5-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56714567
4-benzyl-2-methyl-5-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56715027
4-benzyl-2-methyl-5-[1-[(2R)-2-methylpentanoyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 95229112
4-benzyl-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 56870441
[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 95323240
5-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]-4-benzyl-2-methyl-1,2,4-triazol-3-one
CID 56710044
N-(1-benzyl-2-oxopiperidin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide
CID 84592310
(4aR,7aR)-4-benzyl-6-(5-methyl-1,3-oxazole-4-carbonyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 110138847
4-ethyl-2-methyl-5-[1-(1-methylindazole-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56721319
2-benzyl-4-ethyl-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115552
[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 72896443
4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56753977

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-benzyl-2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one (CID 56708853) is 4-benzyl-2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-benzyl-2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-benzyl-2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one is Cc1ocnc1C(=O)N1CCC(c2nn(C)c(=O)n2Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is KEOUMHAYNKGFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-14-17(21-13-28-14)19(26)24-10-8-16(9-11-24)18-22-23(2)20(27)25(18)12-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3.
What are the key properties of 4-benzyl-2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
4-benzyl-2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 381.44 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 56708853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).