2-tert-butyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazole

C17H24N2O — CID 117434079

IUPAC2-tert-butyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazole
SMILESCC(C)(C)c1nc2cc(CC3CCCNC3)ccc2o1
InChIInChI=1S/C17H24N2O/c1-17(2,3)16-19-14-10-12(6-7-15(14)20-16)9-13-5-4-8-18-11-13/h6-7,10,13,18H,4-5,8-9,11H2,1-3H3
InChIKeyGYLDWUYFQAZAKP-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.67
Rot. Bonds2

About 2-tert-butyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazole

2-tert-butyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazole (PubChem CID 117434079) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-tert-butyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-tert-butyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazole
PubChem CID117434079
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-tert-butyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazole
SMILESCC(C)(C)c1nc2cc(CC3CCCNC3)ccc2o1
InChIInChI=1S/C17H24N2O/c1-17(2,3)16-19-14-10-12(6-7-15(14)20-16)9-13-5-4-8-18-11-13/h6-7,10,13,18H,4-5,8-9,11H2,1-3H3
InChIKeyGYLDWUYFQAZAKP-UHFFFAOYSA-N
XLogP3.67
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine
CID 115209662
7-(piperidin-3-ylmethyl)quinoline
CID 84791058
3-methyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazol-2-one
CID 82498141
2-tert-butyl-5-piperidin-4-yl-1,3-benzoxazole
CID 117399869
3-methyl-6-(piperidin-3-ylmethyl)quinoline
CID 116997414
2-(2-tert-butyl-1,3-benzoxazol-5-yl)acetaldehyde
CID 84682785
6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole
CID 155136389
2-methyl-4-[[(3R)-piperidin-3-yl]methyl]pyridine
CID 139490801
(3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
CID 95458543
3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine
CID 84701353
6-(piperidin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 116994108
2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole
CID 117391858

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazole?
The IUPAC name of 2-tert-butyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazole (CID 117434079) is 2-tert-butyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-tert-butyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazole?
The canonical SMILES for 2-tert-butyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazole is CC(C)(C)c1nc2cc(CC3CCCNC3)ccc2o1.
What is the InChIKey of 2-tert-butyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazole?
The InChIKey is GYLDWUYFQAZAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(2,3)16-19-14-10-12(6-7-15(14)20-16)9-13-5-4-8-18-11-13/h6-7,10,13,18H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazole?
2-tert-butyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazole has a molecular weight of 272.39 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazole is sourced from PubChem (CID 117434079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).