4-tert-butyl-2-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-oxazole

C15H23N5O — CID 138055860

IUPAC4-tert-butyl-2-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)(C)c1coc(CN2CCCC(n3cncn3)C2)n1
InChIInChI=1S/C15H23N5O/c1-15(2,3)13-9-21-14(18-13)8-19-6-4-5-12(7-19)20-11-16-10-17-20/h9-12H,4-8H2,1-3H3
InChIKeyOLLBQTVPVSPLJF-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.40
Rot. Bonds3

About 4-tert-butyl-2-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-oxazole

4-tert-butyl-2-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 138055860) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-tert-butyl-2-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-tert-butyl-2-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID138055860
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name4-tert-butyl-2-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)(C)c1coc(CN2CCCC(n3cncn3)C2)n1
InChIInChI=1S/C15H23N5O/c1-15(2,3)13-9-21-14(18-13)8-19-6-4-5-12(7-19)20-11-16-10-17-20/h9-12H,4-8H2,1-3H3
InChIKeyOLLBQTVPVSPLJF-UHFFFAOYSA-N
XLogP2.40
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[(3,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 124614437
1-[(1-cyclopropylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 136568371
1-[(2,3-dichlorophenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 122138465
(3S)-1-(4-tert-butylphenyl)sulfonyl-3-(1,2,4-triazol-1-yl)piperidine
CID 95326111
(3R)-1-[(3R)-3-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 129429411
(3R)-1-[(2S)-2-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 129358972
N-(3,5-dimethylphenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide
CID 95153262
3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine
CID 126784882
N-[1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyridazin-3-amine
CID 138030371
N,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine
CID 124625051
3-(4-methylphenyl)-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95342707
2-ethyl-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline
CID 133401512

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 4-tert-butyl-2-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-oxazole (CID 138055860) is 4-tert-butyl-2-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4-tert-butyl-2-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4-tert-butyl-2-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-oxazole is CC(C)(C)c1coc(CN2CCCC(n3cncn3)C2)n1.
What is the InChIKey of 4-tert-butyl-2-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is OLLBQTVPVSPLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-15(2,3)13-9-21-14(18-13)8-19-6-4-5-12(7-19)20-11-16-10-17-20/h9-12H,4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-2-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-oxazole?
4-tert-butyl-2-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 289.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 138055860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).