2-(6-azaspiro[3.4]octan-2-ylmethyl)-6-(2-methylpropyl)-1,3-benzoxazole

C19H26N2O — CID 155136390

IUPAC2-(6-azaspiro[3.4]octan-2-ylmethyl)-6-(2-methylpropyl)-1,3-benzoxazole
SMILESCC(C)Cc1ccc2nc(CC3CC4(CCNC4)C3)oc2c1
InChIInChI=1S/C19H26N2O/c1-13(2)7-14-3-4-16-17(8-14)22-18(21-16)9-15-10-19(11-15)5-6-20-12-19/h3-4,8,13,15,20H,5-7,9-12H2,1-2H3
InChIKeyOBHPLQOFZGBPBK-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.96
Rot. Bonds4

About 2-(6-azaspiro[3.4]octan-2-ylmethyl)-6-(2-methylpropyl)-1,3-benzoxazole

2-(6-azaspiro[3.4]octan-2-ylmethyl)-6-(2-methylpropyl)-1,3-benzoxazole (PubChem CID 155136390) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(6-azaspiro[3.4]octan-2-ylmethyl)-6-(2-methylpropyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(6-azaspiro[3.4]octan-2-ylmethyl)-6-(2-methylpropyl)-1,3-benzoxazole
PubChem CID155136390
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-(6-azaspiro[3.4]octan-2-ylmethyl)-6-(2-methylpropyl)-1,3-benzoxazole
SMILESCC(C)Cc1ccc2nc(CC3CC4(CCNC4)C3)oc2c1
InChIInChI=1S/C19H26N2O/c1-13(2)7-14-3-4-16-17(8-14)22-18(21-16)9-15-10-19(11-15)5-6-20-12-19/h3-4,8,13,15,20H,5-7,9-12H2,1-2H3
InChIKeyOBHPLQOFZGBPBK-UHFFFAOYSA-N
XLogP3.96
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
L 697639
CID 60832
BI 99179
CID 51346964
2-(4-Biphenyl)-6-phenylbenzoxazole
CID 86930
L 696040
CID 131887
3-(6-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 721026
4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 350189
2,5,6-Trimethylbenzoxazole
CID 87965
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 2-(6-azaspiro[3.4]octan-2-ylmethyl)-6-(2-methylpropyl)-1,3-benzoxazole?
The IUPAC name of 2-(6-azaspiro[3.4]octan-2-ylmethyl)-6-(2-methylpropyl)-1,3-benzoxazole (CID 155136390) is 2-(6-azaspiro[3.4]octan-2-ylmethyl)-6-(2-methylpropyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(6-azaspiro[3.4]octan-2-ylmethyl)-6-(2-methylpropyl)-1,3-benzoxazole?
The canonical SMILES for 2-(6-azaspiro[3.4]octan-2-ylmethyl)-6-(2-methylpropyl)-1,3-benzoxazole is CC(C)Cc1ccc2nc(CC3CC4(CCNC4)C3)oc2c1.
What is the InChIKey of 2-(6-azaspiro[3.4]octan-2-ylmethyl)-6-(2-methylpropyl)-1,3-benzoxazole?
The InChIKey is OBHPLQOFZGBPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-13(2)7-14-3-4-16-17(8-14)22-18(21-16)9-15-10-19(11-15)5-6-20-12-19/h3-4,8,13,15,20H,5-7,9-12H2,1-2H3.
What are the key properties of 2-(6-azaspiro[3.4]octan-2-ylmethyl)-6-(2-methylpropyl)-1,3-benzoxazole?
2-(6-azaspiro[3.4]octan-2-ylmethyl)-6-(2-methylpropyl)-1,3-benzoxazole has a molecular weight of 298.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[3.4]octan-2-ylmethyl)-6-(2-methylpropyl)-1,3-benzoxazole is sourced from PubChem (CID 155136390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).