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

C13H19N5O — CID 129398428

IUPAC3,5-dimethyl-4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCCC[C@@H]1c1ncn[nH]1
InChIInChI=1S/C13H19N5O/c1-9-11(10(2)19-17-9)7-18-6-4-3-5-12(18)13-14-8-15-16-13/h8,12H,3-7H2,1-2H3,(H,14,15,16)/t12-/m1/s1
InChIKeyHDHJHTGQWQXYBH-GFCCVEGCSA-N
MW261.33 g/mol
LogP2.14
Rot. Bonds3

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

3,5-dimethyl-4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 129398428) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID129398428
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3,5-dimethyl-4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCCC[C@@H]1c1ncn[nH]1
InChIInChI=1S/C13H19N5O/c1-9-11(10(2)19-17-9)7-18-6-4-3-5-12(18)13-14-8-15-16-13/h8,12H,3-7H2,1-2H3,(H,14,15,16)/t12-/m1/s1
InChIKeyHDHJHTGQWQXYBH-GFCCVEGCSA-N
XLogP2.14
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4,5-dimethyl-2-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 129380483
3,5-dimethyl-4-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 99957391
3,5-dimethyl-4-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 129487442
1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine
CID 128994066
4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 94616382
4-[[(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 129487434
1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine
CID 128544416
2-(1H-1,2,4-triazol-5-yl)-1-(2,2,2-trifluoroethyl)piperidine
CID 84599253
1-[2-(oxan-2-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)piperidine
CID 128570987
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916117
3,5-dimethyl-4-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole
CID 63256393
4-methyl-2-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 146139059

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole (CID 129398428) is 3,5-dimethyl-4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole is Cc1noc(C)c1CN1CCCC[C@@H]1c1ncn[nH]1.
What is the InChIKey of 3,5-dimethyl-4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is HDHJHTGQWQXYBH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-11(10(2)19-17-9)7-18-6-4-3-5-12(18)13-14-8-15-16-13/h8,12H,3-7H2,1-2H3,(H,14,15,16)/t12-/m1/s1.
What are the key properties of 3,5-dimethyl-4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 261.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 129398428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).