(1-tert-butyl-3-methylpyrazol-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

C17H25N5O2 — CID 136530038

IUPAC(1-tert-butyl-3-methylpyrazol-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1nc(C2CCCCN2C(=O)c2cn(C(C)(C)C)nc2C)no1
InChIInChI=1S/C17H25N5O2/c1-11-13(10-22(19-11)17(3,4)5)16(23)21-9-7-6-8-14(21)15-18-12(2)24-20-15/h10,14H,6-9H2,1-5H3
InChIKeyKDBBATPEPWNRQW-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.01
Rot. Bonds2

About (1-tert-butyl-3-methylpyrazol-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

(1-tert-butyl-3-methylpyrazol-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 136530038) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (1-tert-butyl-3-methylpyrazol-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butyl-3-methylpyrazol-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID136530038
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(1-tert-butyl-3-methylpyrazol-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1nc(C2CCCCN2C(=O)c2cn(C(C)(C)C)nc2C)no1
InChIInChI=1S/C17H25N5O2/c1-11-13(10-22(19-11)17(3,4)5)16(23)21-9-7-6-8-14(21)15-18-12(2)24-20-15/h10,14H,6-9H2,1-5H3
InChIKeyKDBBATPEPWNRQW-UHFFFAOYSA-N
XLogP3.01
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]phenyl]ethanone
CID 97345395
(1-tert-butyl-3-methylpyrazol-4-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128993946
cyclobutyl-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95841655
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 97345421
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-morpholin-4-ylmethanone
CID 97344859
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 97345408
[6-(dimethylamino)-3-pyridinyl]-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345379
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 75475016
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-prop-2-ynylazepane-1-carboxamide
CID 75483929
2-[2-(dimethylamino)ethylsulfanyl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 154798972
1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 71928995
(2R)-N-(2,6-dimethylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 97343637

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-3-methylpyrazol-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-tert-butyl-3-methylpyrazol-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 136530038) is (1-tert-butyl-3-methylpyrazol-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-tert-butyl-3-methylpyrazol-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-tert-butyl-3-methylpyrazol-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is Cc1nc(C2CCCCN2C(=O)c2cn(C(C)(C)C)nc2C)no1.
What is the InChIKey of (1-tert-butyl-3-methylpyrazol-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is KDBBATPEPWNRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11-13(10-22(19-11)17(3,4)5)16(23)21-9-7-6-8-14(21)15-18-12(2)24-20-15/h10,14H,6-9H2,1-5H3.
What are the key properties of (1-tert-butyl-3-methylpyrazol-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
(1-tert-butyl-3-methylpyrazol-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 331.42 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-3-methylpyrazol-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 136530038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).