5-methyl-2-(3-methylpyrrolidin-3-yl)-1,3-benzoxazole

C13H16N2O — CID 63144900

IUPAC5-methyl-2-(3-methylpyrrolidin-3-yl)-1,3-benzoxazole
SMILESCc1ccc2oc(C3(C)CCNC3)nc2c1
InChIInChI=1S/C13H16N2O/c1-9-3-4-11-10(7-9)15-12(16-11)13(2)5-6-14-8-13/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyQADHLJLLUNSSET-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.39
Rot. Bonds1

About 5-methyl-2-(3-methylpyrrolidin-3-yl)-1,3-benzoxazole

5-methyl-2-(3-methylpyrrolidin-3-yl)-1,3-benzoxazole (PubChem CID 63144900) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-methyl-2-(3-methylpyrrolidin-3-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-methyl-2-(3-methylpyrrolidin-3-yl)-1,3-benzoxazole
PubChem CID63144900
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-methyl-2-(3-methylpyrrolidin-3-yl)-1,3-benzoxazole
SMILESCc1ccc2oc(C3(C)CCNC3)nc2c1
InChIInChI=1S/C13H16N2O/c1-9-3-4-11-10(7-9)15-12(16-11)13(2)5-6-14-8-13/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyQADHLJLLUNSSET-UHFFFAOYSA-N
XLogP2.39
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(4-methylpiperidin-4-yl)-1,3-benzoxazole
CID 55177954
4-methyl-2-(3-methylpyrrolidin-3-yl)-1,3-benzoxazole
CID 63145028
2-(4-methylpiperidin-4-yl)-1,3-benzoxazole
CID 63124311
5-chloro-6-fluoro-2-(4-methylpiperidin-4-yl)-1,3-benzoxazole
CID 82720963
3-(2-methylfuran-3-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 113453228
3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63123728
2-methyl-5-(2-methylpiperazin-2-yl)-1,3-benzoxazole
CID 116856332
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1,3-benzoxazole
CID 119091935
3-(3-bromophenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144733
5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 60918724
3-(3-bromo-4-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 82810491

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylpyrrolidin-3-yl)-1,3-benzoxazole?
The IUPAC name of 5-methyl-2-(3-methylpyrrolidin-3-yl)-1,3-benzoxazole (CID 63144900) is 5-methyl-2-(3-methylpyrrolidin-3-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-methyl-2-(3-methylpyrrolidin-3-yl)-1,3-benzoxazole?
The canonical SMILES for 5-methyl-2-(3-methylpyrrolidin-3-yl)-1,3-benzoxazole is Cc1ccc2oc(C3(C)CCNC3)nc2c1.
What is the InChIKey of 5-methyl-2-(3-methylpyrrolidin-3-yl)-1,3-benzoxazole?
The InChIKey is QADHLJLLUNSSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-3-4-11-10(7-9)15-12(16-11)13(2)5-6-14-8-13/h3-4,7,14H,5-6,8H2,1-2H3.
What are the key properties of 5-methyl-2-(3-methylpyrrolidin-3-yl)-1,3-benzoxazole?
5-methyl-2-(3-methylpyrrolidin-3-yl)-1,3-benzoxazole has a molecular weight of 216.28 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylpyrrolidin-3-yl)-1,3-benzoxazole is sourced from PubChem (CID 63144900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).