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

C15H23N5O — CID 129492290

IUPAC5-methyl-4-[[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1oncc1CN1CCCC[C@H]1c1nc(C(C)C)n[nH]1
InChIInChI=1S/C15H23N5O/c1-10(2)14-17-15(19-18-14)13-6-4-5-7-20(13)9-12-8-16-21-11(12)3/h8,10,13H,4-7,9H2,1-3H3,(H,17,18,19)/t13-/m0/s1
InChIKeyAOLHZVMRHTWLNR-ZDUSSCGKSA-N
MW289.38 g/mol
LogP2.95
Rot. Bonds4

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

5-methyl-4-[[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 129492290) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-methyl-4-[[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-[[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID129492290
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name5-methyl-4-[[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1oncc1CN1CCCC[C@H]1c1nc(C(C)C)n[nH]1
InChIInChI=1S/C15H23N5O/c1-10(2)14-17-15(19-18-14)13-6-4-5-7-20(13)9-12-8-16-21-11(12)3/h8,10,13H,4-7,9H2,1-3H3,(H,17,18,19)/t13-/m0/s1
InChIKeyAOLHZVMRHTWLNR-ZDUSSCGKSA-N
XLogP2.95
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 121173951
3,5-dimethyl-4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 87052089
5-[(2R)-1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95079436
4-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 129492381
[3-fluoro-4-(hydroxymethyl)phenyl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129487546
5-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 53096296
3-[[(2S)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 124568419
5-[(2S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-phenyl-1H-1,2,4-triazole
CID 91653818
5-[(2S)-1-[(3-cyclohexylimidazol-4-yl)methyl]piperidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 124756392
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-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 129398428

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-4-[[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole (CID 129492290) is 5-methyl-4-[[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-[[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-4-[[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole is Cc1oncc1CN1CCCC[C@H]1c1nc(C(C)C)n[nH]1.
What is the InChIKey of 5-methyl-4-[[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is AOLHZVMRHTWLNR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10(2)14-17-15(19-18-14)13-6-4-5-7-20(13)9-12-8-16-21-11(12)3/h8,10,13H,4-7,9H2,1-3H3,(H,17,18,19)/t13-/m0/s1.
What are the key properties of 5-methyl-4-[[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
5-methyl-4-[[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 289.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 129492290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).