6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole

C14H18N2O — CID 83859342

IUPAC6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole
SMILESCc1ccc2nc(CCC3CCCN3)oc2c1
InChIInChI=1S/C14H18N2O/c1-10-4-6-12-13(9-10)17-14(16-12)7-5-11-3-2-8-15-11/h4,6,9,11,15H,2-3,5,7-8H2,1H3
InChIKeyGAWDATWHRILQOL-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.82
Rot. Bonds3

About 6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole

6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole (PubChem CID 83859342) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole
PubChem CID83859342
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole
SMILESCc1ccc2nc(CCC3CCCN3)oc2c1
InChIInChI=1S/C14H18N2O/c1-10-4-6-12-13(9-10)17-14(16-12)7-5-11-3-2-8-15-11/h4,6,9,11,15H,2-3,5,7-8H2,1H3
InChIKeyGAWDATWHRILQOL-UHFFFAOYSA-N
XLogP2.82
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 83859316
2-(2-piperidin-2-ylethyl)-1,3-benzoxazole
CID 62217382
5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372317
6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 656381
N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine
CID 60837123
6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046290
6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 61371342
2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372127
5-methyl-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole
CID 55049751
(6-methyl-1,3-benzoxazol-2-yl)methanol
CID 83383747
2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 82495132
N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208337

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole?
The IUPAC name of 6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole (CID 83859342) is 6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole.
What is the SMILES notation for 6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole?
The canonical SMILES for 6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole is Cc1ccc2nc(CCC3CCCN3)oc2c1.
What is the InChIKey of 6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole?
The InChIKey is GAWDATWHRILQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-4-6-12-13(9-10)17-14(16-12)7-5-11-3-2-8-15-11/h4,6,9,11,15H,2-3,5,7-8H2,1H3.
What are the key properties of 6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole?
6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole has a molecular weight of 230.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole is sourced from PubChem (CID 83859342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).