5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

C17H27N5O — CID 56720072

IUPAC5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCCc1c(C)nn(Cc2nc(CC3CCN(C)CC3)no2)c1C
InChIInChI=1S/C17H27N5O/c1-5-15-12(2)19-22(13(15)3)11-17-18-16(20-23-17)10-14-6-8-21(4)9-7-14/h14H,5-11H2,1-4H3
InChIKeyBJBXAZRZQHKGAE-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.38
Rot. Bonds5

About 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 56720072) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID56720072
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCCc1c(C)nn(Cc2nc(CC3CCN(C)CC3)no2)c1C
InChIInChI=1S/C17H27N5O/c1-5-15-12(2)19-22(13(15)3)11-17-18-16(20-23-17)10-14-6-8-21(4)9-7-14/h14H,5-11H2,1-4H3
InChIKeyBJBXAZRZQHKGAE-UHFFFAOYSA-N
XLogP2.38
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

N-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 16191178
2-(3,5-Dimethylpyrazol-1-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 52104845
4-[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 53555235
1-[4-(3-Butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 56728003
3-Cyclopropyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780714
3-(2-Methoxyethyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780730
2-(3,5-Dimethylpyrazol-1-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 56818682
5-Cyclopropyl-3-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 72141636
5-[[2-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 72141885
2-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 72149391
N-{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 29219599
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanamide
CID 56865182

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (CID 56720072) is 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is CCc1c(C)nn(Cc2nc(CC3CCN(C)CC3)no2)c1C.
What is the InChIKey of 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is BJBXAZRZQHKGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-5-15-12(2)19-22(13(15)3)11-17-18-16(20-23-17)10-14-6-8-21(4)9-7-14/h14H,5-11H2,1-4H3.
What are the key properties of 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 317.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56720072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).