5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole

C13H16N2O — CID 82230711

IUPAC5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole
SMILESCc1cc2nc(C3CCCN3)oc2cc1C
InChIInChI=1S/C13H16N2O/c1-8-6-11-12(7-9(8)2)16-13(15-11)10-4-3-5-14-10/h6-7,10,14H,3-5H2,1-2H3
InChIKeySTUOKLCGRHBPSQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.87
Rot. Bonds1

About 5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole

5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole (PubChem CID 82230711) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole
PubChem CID82230711
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole
SMILESCc1cc2nc(C3CCCN3)oc2cc1C
InChIInChI=1S/C13H16N2O/c1-8-6-11-12(7-9(8)2)16-13(15-11)10-4-3-5-14-10/h6-7,10,14H,3-5H2,1-2H3
InChIKeySTUOKLCGRHBPSQ-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 60918724
5-methyl-2-piperidin-2-yl-1,3-benzoxazole
CID 60918725
5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 82230801
7-methyl-2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazole
CID 83859173
6-methoxy-2-piperidin-2-yl-1,3-benzoxazole
CID 102696403
2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid
CID 82384588
N,N-bis[[2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazol-5-yl]methyl]aniline
CID 66750202
7-chloro-2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazole
CID 83868118
7-bromo-2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazole
CID 83866956
2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole
CID 82049611
5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole
CID 62336920
2-cyclopropyl-5-methyl-4-pyrrolidin-2-yl-1,3-oxazole
CID 115019146

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole?
The IUPAC name of 5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole (CID 82230711) is 5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole.
What is the SMILES notation for 5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole?
The canonical SMILES for 5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole is Cc1cc2nc(C3CCCN3)oc2cc1C.
What is the InChIKey of 5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole?
The InChIKey is STUOKLCGRHBPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-6-11-12(7-9(8)2)16-13(15-11)10-4-3-5-14-10/h6-7,10,14H,3-5H2,1-2H3.
What are the key properties of 5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole?
5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole has a molecular weight of 216.28 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole is sourced from PubChem (CID 82230711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).