2-tert-butyl-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole

C15H23N5O — CID 97075917

IUPAC2-tert-butyl-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(CN2CCC[C@H](c3ccn[nH]3)C2)o1
InChIInChI=1S/C15H23N5O/c1-15(2,3)14-19-18-13(21-14)10-20-8-4-5-11(9-20)12-6-7-16-17-12/h6-7,11H,4-5,8-10H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyBFJHSJFXWUQQLL-NSHDSACASA-N
MW289.38 g/mol
LogP2.47
Rot. Bonds3

About 2-tert-butyl-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole

2-tert-butyl-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 97075917) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-tert-butyl-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID97075917
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-tert-butyl-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(CN2CCC[C@H](c3ccn[nH]3)C2)o1
InChIInChI=1S/C15H23N5O/c1-15(2,3)14-19-18-13(21-14)10-20-8-4-5-11(9-20)12-6-7-16-17-12/h6-7,11H,4-5,8-10H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyBFJHSJFXWUQQLL-NSHDSACASA-N
XLogP2.47
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 97075917) is 2-tert-butyl-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is CC(C)(C)c1nnc(CN2CCC[C@H](c3ccn[nH]3)C2)o1.
What is the InChIKey of 2-tert-butyl-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is BFJHSJFXWUQQLL-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N5O/c1-15(2,3)14-19-18-13(21-14)10-20-8-4-5-11(9-20)12-6-7-16-17-12/h6-7,11H,4-5,8-10H2,1-3H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 2-tert-butyl-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-tert-butyl-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 289.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 97075917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).