7-methyl-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole

C16H22N2O — CID 79601667

IUPAC7-methyl-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole
SMILESCCCC1(c2nc3cccc(C)c3o2)CCCNC1
InChIInChI=1S/C16H22N2O/c1-3-8-16(9-5-10-17-11-16)15-18-13-7-4-6-12(2)14(13)19-15/h4,6-7,17H,3,5,8-11H2,1-2H3
InChIKeyXZFMNWGHGLDZAN-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.56
Rot. Bonds3

About 7-methyl-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole

7-methyl-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole (PubChem CID 79601667) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 7-methyl-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-methyl-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole
PubChem CID79601667
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name7-methyl-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole
SMILESCCCC1(c2nc3cccc(C)c3o2)CCCNC1
InChIInChI=1S/C16H22N2O/c1-3-8-16(9-5-10-17-11-16)15-18-13-7-4-6-12(2)14(13)19-15/h4,6-7,17H,3,5,8-11H2,1-2H3
InChIKeyXZFMNWGHGLDZAN-UHFFFAOYSA-N
XLogP3.56
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
L 697639
CID 60832
L 696229
CID 72352
Benzoxazole, 2-phenyl-
CID 70030
L 696040
CID 131887
2,5-Dimethylbenzoxazole
CID 21884
2-(3-Pyridyl)benzoxazole
CID 16803
BI 99179
CID 51346964
3-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 348698
4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 350189
3-((7-Methyl-Benzoxazol-2-ylmethyl)amino)-5-ethyl-6-methlpyridin-2(1H)-one
CID 453443

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole?
The IUPAC name of 7-methyl-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole (CID 79601667) is 7-methyl-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole.
What is the SMILES notation for 7-methyl-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole?
The canonical SMILES for 7-methyl-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole is CCCC1(c2nc3cccc(C)c3o2)CCCNC1.
What is the InChIKey of 7-methyl-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole?
The InChIKey is XZFMNWGHGLDZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-8-16(9-5-10-17-11-16)15-18-13-7-4-6-12(2)14(13)19-15/h4,6-7,17H,3,5,8-11H2,1-2H3.
What are the key properties of 7-methyl-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole?
7-methyl-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole has a molecular weight of 258.36 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole is sourced from PubChem (CID 79601667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).