5-tert-butyl-2-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole

C17H26N4O — CID 95609203

IUPAC5-tert-butyl-2-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)(C)c1cnc(CN2CCCC[C@@H]2Cn2cccn2)o1
InChIInChI=1S/C17H26N4O/c1-17(2,3)15-11-18-16(22-15)13-20-9-5-4-7-14(20)12-21-10-6-8-19-21/h6,8,10-11,14H,4-5,7,9,12-13H2,1-3H3/t14-/m1/s1
InChIKeyQEEIAJVMXZYCNB-CQSZACIVSA-N
MW302.42 g/mol
LogP3.22
Rot. Bonds4

About 5-tert-butyl-2-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole

5-tert-butyl-2-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 95609203) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-tert-butyl-2-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID95609203
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name5-tert-butyl-2-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)(C)c1cnc(CN2CCCC[C@@H]2Cn2cccn2)o1
InChIInChI=1S/C17H26N4O/c1-17(2,3)15-11-18-16(22-15)13-20-9-5-4-7-14(20)12-21-10-6-8-19-21/h6,8,10-11,14H,4-5,7,9,12-13H2,1-3H3/t14-/m1/s1
InChIKeyQEEIAJVMXZYCNB-CQSZACIVSA-N
XLogP3.22
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine
CID 95609229
2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95331994
1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanol
CID 111106894
1-[(2R)-2-[(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95338714
3-cyclopropyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95323445
(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine
CID 95327720
(2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine
CID 95325556
2-(4-chlorophenyl)-5-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95609308
2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile
CID 95609183
(2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine
CID 99932857
5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole
CID 95343944
5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole
CID 95343943

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole (CID 95609203) is 5-tert-butyl-2-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole is CC(C)(C)c1cnc(CN2CCCC[C@@H]2Cn2cccn2)o1.
What is the InChIKey of 5-tert-butyl-2-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is QEEIAJVMXZYCNB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N4O/c1-17(2,3)15-11-18-16(22-15)13-20-9-5-4-7-14(20)12-21-10-6-8-19-21/h6,8,10-11,14H,4-5,7,9,12-13H2,1-3H3/t14-/m1/s1.
What are the key properties of 5-tert-butyl-2-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole?
5-tert-butyl-2-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 302.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 95609203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).