4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole

C18H21N5O — CID 74231613

IUPAC4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole
SMILESCc1nc(C2CCN(Cc3coc(-c4ccccc4)n3)CC2)n[nH]1
InChIInChI=1S/C18H21N5O/c1-13-19-17(22-21-13)14-7-9-23(10-8-14)11-16-12-24-18(20-16)15-5-3-2-4-6-15/h2-6,12,14H,7-11H2,1H3,(H,19,21,22)
InChIKeyXDUVHOAFVZLTBS-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.15
Rot. Bonds4

About 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole

4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole (PubChem CID 74231613) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole
PubChem CID74231613
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole
SMILESCc1nc(C2CCN(Cc3coc(-c4ccccc4)n3)CC2)n[nH]1
InChIInChI=1S/C18H21N5O/c1-13-19-17(22-21-13)14-7-9-23(10-8-14)11-16-12-24-18(20-16)15-5-3-2-4-6-15/h2-6,12,14H,7-11H2,1H3,(H,19,21,22)
InChIKeyXDUVHOAFVZLTBS-UHFFFAOYSA-N
XLogP3.15
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole with MolForge

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Related Compounds

(3S)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933954
(2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95326252
(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol
CID 79411338
4-[[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-2-phenyl-1,3-oxazole
CID 74235764
2-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 77088349
N-(3-methyl-2H-indazol-6-yl)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide
CID 155946260
2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid
CID 146134573
2-(4-chlorophenyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 51104412
1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine
CID 119923250
4-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63720352
N,N,4-trimethyl-6-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 166136017
4-(5-methyl-2-pyridinyl)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 91843452

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole (CID 74231613) is 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole is Cc1nc(C2CCN(Cc3coc(-c4ccccc4)n3)CC2)n[nH]1.
What is the InChIKey of 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole?
The InChIKey is XDUVHOAFVZLTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-19-17(22-21-13)14-7-9-23(10-8-14)11-16-12-24-18(20-16)15-5-3-2-4-6-15/h2-6,12,14H,7-11H2,1H3,(H,19,21,22).
What are the key properties of 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole?
4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole has a molecular weight of 323.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 74231613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).