2-tert-butyl-5-piperidin-4-yl-1,3-benzoxazole

C16H22N2O — CID 117399869

IUPAC2-tert-butyl-5-piperidin-4-yl-1,3-benzoxazole
SMILESCC(C)(C)c1nc2cc(C3CCNCC3)ccc2o1
InChIInChI=1S/C16H22N2O/c1-16(2,3)15-18-13-10-12(4-5-14(13)19-15)11-6-8-17-9-7-11/h4-5,10-11,17H,6-9H2,1-3H3
InChIKeyILJQQZVHSUMFTG-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.59
Rot. Bonds1

About 2-tert-butyl-5-piperidin-4-yl-1,3-benzoxazole

2-tert-butyl-5-piperidin-4-yl-1,3-benzoxazole (PubChem CID 117399869) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-tert-butyl-5-piperidin-4-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-tert-butyl-5-piperidin-4-yl-1,3-benzoxazole
PubChem CID117399869
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-tert-butyl-5-piperidin-4-yl-1,3-benzoxazole
SMILESCC(C)(C)c1nc2cc(C3CCNCC3)ccc2o1
InChIInChI=1S/C16H22N2O/c1-16(2,3)15-18-13-10-12(4-5-14(13)19-15)11-6-8-17-9-7-11/h4-5,10-11,17H,6-9H2,1-3H3
InChIKeyILJQQZVHSUMFTG-UHFFFAOYSA-N
XLogP3.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
L 697639
CID 60832
L 696229
CID 72352
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
Flunoxaprofen
CID 68869
L 696040
CID 131887
Benzoxazole, 2,2'-(1,2-ethenediyl)bis(5-methyl-
CID 5332173
2,5-Dimethylbenzoxazole
CID 21884
BI 99179
CID 51346964

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-piperidin-4-yl-1,3-benzoxazole?
The IUPAC name of 2-tert-butyl-5-piperidin-4-yl-1,3-benzoxazole (CID 117399869) is 2-tert-butyl-5-piperidin-4-yl-1,3-benzoxazole.
What is the SMILES notation for 2-tert-butyl-5-piperidin-4-yl-1,3-benzoxazole?
The canonical SMILES for 2-tert-butyl-5-piperidin-4-yl-1,3-benzoxazole is CC(C)(C)c1nc2cc(C3CCNCC3)ccc2o1.
What is the InChIKey of 2-tert-butyl-5-piperidin-4-yl-1,3-benzoxazole?
The InChIKey is ILJQQZVHSUMFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-16(2,3)15-18-13-10-12(4-5-14(13)19-15)11-6-8-17-9-7-11/h4-5,10-11,17H,6-9H2,1-3H3.
What are the key properties of 2-tert-butyl-5-piperidin-4-yl-1,3-benzoxazole?
2-tert-butyl-5-piperidin-4-yl-1,3-benzoxazole has a molecular weight of 258.37 g/mol, XLogP of 3.59, 1 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-4-yl-1,3-benzoxazole is sourced from PubChem (CID 117399869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).