5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole

C13H16N2O — CID 61372317

IUPAC5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
SMILESCc1ccc2oc(CC3CCCN3)nc2c1
InChIInChI=1S/C13H16N2O/c1-9-4-5-12-11(7-9)15-13(16-12)8-10-3-2-6-14-10/h4-5,7,10,14H,2-3,6,8H2,1H3
InChIKeyRFPIXWZDHHUAKK-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.43
Rot. Bonds2

About 5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole

5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole (PubChem CID 61372317) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
PubChem CID61372317
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
SMILESCc1ccc2oc(CC3CCCN3)nc2c1
InChIInChI=1S/C13H16N2O/c1-9-4-5-12-11(7-9)15-13(16-12)8-10-3-2-6-14-10/h4-5,7,10,14H,2-3,6,8H2,1H3
InChIKeyRFPIXWZDHHUAKK-UHFFFAOYSA-N
XLogP2.43
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.43
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-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372127
6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole
CID 83859342
5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 60918724
5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole
CID 66434043
6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 61371342
5-methyl-2-piperidin-2-yl-1,3-benzoxazole
CID 60918725
1-(2-methyl-1,3-benzoxazol-5-yl)-2-pyrrolidin-2-ylethanone
CID 116917018
1-cyclopropyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]methanamine
CID 60918378
4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 114765024
1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 83858076
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole?
The IUPAC name of 5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole (CID 61372317) is 5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole.
What is the SMILES notation for 5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole?
The canonical SMILES for 5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole is Cc1ccc2oc(CC3CCCN3)nc2c1.
What is the InChIKey of 5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole?
The InChIKey is RFPIXWZDHHUAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-4-5-12-11(7-9)15-13(16-12)8-10-3-2-6-14-10/h4-5,7,10,14H,2-3,6,8H2,1H3.
What are the key properties of 5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole?
5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole has a molecular weight of 216.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole is sourced from PubChem (CID 61372317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).