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

C14H18N2O — CID 175627696

IUPAC2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzoxazole
SMILESCc1nc2cc(C3CCC(C)CN3)ccc2o1
InChIInChI=1S/C14H18N2O/c1-9-3-5-12(15-8-9)11-4-6-14-13(7-11)16-10(2)17-14/h4,6-7,9,12,15H,3,5,8H2,1-2H3
InChIKeyMHNYREZUTFBWRR-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.20
Rot. Bonds1

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

2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzoxazole (PubChem CID 175627696) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzoxazole
PubChem CID175627696
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzoxazole
SMILESCc1nc2cc(C3CCC(C)CN3)ccc2o1
InChIInChI=1S/C14H18N2O/c1-9-3-5-12(15-8-9)11-4-6-14-13(7-11)16-10(2)17-14/h4,6-7,9,12,15H,3,5,8H2,1-2H3
InChIKeyMHNYREZUTFBWRR-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline
CID 169113739
5-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117367740
2-methyl-6-(5-methylpiperidin-2-yl)indazole
CID 171618705
5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-amine
CID 164750164
5-(5-methylpiperidin-2-yl)-1,3-benzothiazole
CID 164750446
(3S)-3-methyl-8-[(5S)-5-methylpiperidin-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole
CID 176910061
4-(2-methyl-1,3-benzoxazol-6-yl)imidazolidin-2-one
CID 116855847
6-(5-methylpiperidin-2-yl)-2-(oxolan-3-yl)indazole
CID 169112657
3-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]pyridine
CID 169114355
2-methyl-N-(3-methylcyclopentyl)-1,3-benzoxazol-5-amine
CID 64500181
(2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine
CID 170904340
N,N-dimethyl-2-[5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-yl]ethanamine
CID 164751318

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzoxazole (CID 175627696) is 2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzoxazole is Cc1nc2cc(C3CCC(C)CN3)ccc2o1.
What is the InChIKey of 2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzoxazole?
The InChIKey is MHNYREZUTFBWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-3-5-12(15-8-9)11-4-6-14-13(7-11)16-10(2)17-14/h4,6-7,9,12,15H,3,5,8H2,1-2H3.
What are the key properties of 2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzoxazole?
2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzoxazole has a molecular weight of 230.31 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 175627696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).