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

C13H19N5O — CID 99957391

IUPAC3,5-dimethyl-4-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCC[C@H](c2ncn[nH]2)C1
InChIInChI=1S/C13H19N5O/c1-9-12(10(2)19-17-9)7-18-5-3-4-11(6-18)13-14-8-15-16-13/h8,11H,3-7H2,1-2H3,(H,14,15,16)/t11-/m0/s1
InChIKeyRUYUXPOGDQUICA-NSHDSACASA-N
MW261.33 g/mol
LogP1.79
Rot. Bonds3

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

3,5-dimethyl-4-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 99957391) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID99957391
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3,5-dimethyl-4-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCC[C@H](c2ncn[nH]2)C1
InChIInChI=1S/C13H19N5O/c1-9-12(10(2)19-17-9)7-18-5-3-4-11(6-18)13-14-8-15-16-13/h8,11H,3-7H2,1-2H3,(H,14,15,16)/t11-/m0/s1
InChIKeyRUYUXPOGDQUICA-NSHDSACASA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3,5-dimethyl-4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 129398428
5-tert-butyl-3-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95973173
3,5-dimethyl-4-[[(3R)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 95110918
5-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 94207638
3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 97328833
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-3-carbaldehyde
CID 62654932
3,5-dimethyl-4-[[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 121184804
(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 99931486
2-cyclohexyl-5-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]pyrimidine
CID 99960847
1,5-dimethyl-2-phenyl-4-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]pyrazol-3-one
CID 99934368
1-[(4-phenylmethoxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 77085937
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 42960378

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole (CID 99957391) is 3,5-dimethyl-4-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole is Cc1noc(C)c1CN1CCC[C@H](c2ncn[nH]2)C1.
What is the InChIKey of 3,5-dimethyl-4-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is RUYUXPOGDQUICA-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-12(10(2)19-17-9)7-18-5-3-4-11(6-18)13-14-8-15-16-13/h8,11H,3-7H2,1-2H3,(H,14,15,16)/t11-/m0/s1.
What are the key properties of 3,5-dimethyl-4-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[(3S)-3-(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 1.79, 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-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 99957391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).