5,7-dimethyl-2-piperidin-3-yl-1,3-benzoxazole

C14H18N2O — CID 79016776

IUPAC5,7-dimethyl-2-piperidin-3-yl-1,3-benzoxazole
SMILESCc1cc(C)c2oc(C3CCCNC3)nc2c1
InChIInChI=1S/C14H18N2O/c1-9-6-10(2)13-12(7-9)16-14(17-13)11-4-3-5-15-8-11/h6-7,11,15H,3-5,8H2,1-2H3
InChIKeyMWZSOODBKYSQCT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.91
Rot. Bonds1

About 5,7-dimethyl-2-piperidin-3-yl-1,3-benzoxazole

5,7-dimethyl-2-piperidin-3-yl-1,3-benzoxazole (PubChem CID 79016776) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5,7-dimethyl-2-piperidin-3-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5,7-dimethyl-2-piperidin-3-yl-1,3-benzoxazole
PubChem CID79016776
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5,7-dimethyl-2-piperidin-3-yl-1,3-benzoxazole
SMILESCc1cc(C)c2oc(C3CCCNC3)nc2c1
InChIInChI=1S/C14H18N2O/c1-9-6-10(2)13-12(7-9)16-14(17-13)11-4-3-5-15-8-11/h6-7,11,15H,3-5,8H2,1-2H3
InChIKeyMWZSOODBKYSQCT-UHFFFAOYSA-N
XLogP2.91
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,7-dimethyl-2-piperidin-3-yl-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-[(3S)-piperidin-3-yl]-1,3-benzoxazole
CID 51673597
5-chloro-6-fluoro-2-piperidin-3-yl-1,3-benzoxazole
CID 82720359
5-chloro-2-piperidin-3-yl-1,3-benzoxazole
CID 43114866
4-ethyl-5-methyl-2-piperidin-3-yl-1,3-oxazole
CID 105448329
3-(2-chloro-4,6-dimethylphenyl)piperidine
CID 84789545
3-[(3,5-dimethylphenyl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62594260
3-(2,4-dimethylphenyl)piperidine
CID 10535662
2-(4-methylphenyl)-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole
CID 39347689
5-methyl-2-piperidin-3-yl-4-pyrrolidin-2-yl-1,3-oxazole
CID 115040989
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 29039427
3-(3-fluoro-5-methylphenyl)piperidine
CID 79003681

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-piperidin-3-yl-1,3-benzoxazole?
The IUPAC name of 5,7-dimethyl-2-piperidin-3-yl-1,3-benzoxazole (CID 79016776) is 5,7-dimethyl-2-piperidin-3-yl-1,3-benzoxazole.
What is the SMILES notation for 5,7-dimethyl-2-piperidin-3-yl-1,3-benzoxazole?
The canonical SMILES for 5,7-dimethyl-2-piperidin-3-yl-1,3-benzoxazole is Cc1cc(C)c2oc(C3CCCNC3)nc2c1.
What is the InChIKey of 5,7-dimethyl-2-piperidin-3-yl-1,3-benzoxazole?
The InChIKey is MWZSOODBKYSQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-6-10(2)13-12(7-9)16-14(17-13)11-4-3-5-15-8-11/h6-7,11,15H,3-5,8H2,1-2H3.
What are the key properties of 5,7-dimethyl-2-piperidin-3-yl-1,3-benzoxazole?
5,7-dimethyl-2-piperidin-3-yl-1,3-benzoxazole has a molecular weight of 230.31 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-piperidin-3-yl-1,3-benzoxazole is sourced from PubChem (CID 79016776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).