5-methyl-2-piperidin-2-yl-1,3-benzoxazole

C13H16N2O — CID 60918725

IUPAC5-methyl-2-piperidin-2-yl-1,3-benzoxazole
SMILESCc1ccc2oc(C3CCCCN3)nc2c1
InChIInChI=1S/C13H16N2O/c1-9-5-6-12-11(8-9)15-13(16-12)10-4-2-3-7-14-10/h5-6,8,10,14H,2-4,7H2,1H3
InChIKeyHAYDNTDFQLZYLQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.95
Rot. Bonds1

About 5-methyl-2-piperidin-2-yl-1,3-benzoxazole

5-methyl-2-piperidin-2-yl-1,3-benzoxazole (PubChem CID 60918725) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-methyl-2-piperidin-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-methyl-2-piperidin-2-yl-1,3-benzoxazole
PubChem CID60918725
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-methyl-2-piperidin-2-yl-1,3-benzoxazole
SMILESCc1ccc2oc(C3CCCCN3)nc2c1
InChIInChI=1S/C13H16N2O/c1-9-5-6-12-11(8-9)15-13(16-12)10-4-2-3-7-14-10/h5-6,8,10,14H,2-4,7H2,1H3
InChIKeyHAYDNTDFQLZYLQ-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
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
2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid
CID 82384588
5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 82230801
5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 82230711
6-methoxy-2-piperidin-2-yl-1,3-benzoxazole
CID 102696403
2-(4-methoxypyrrolidin-2-yl)-5-methyl-1,3-benzoxazole
CID 54936947
5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372317
N,N-bis[[2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazol-5-yl]methyl]aniline
CID 66750202
7-methyl-2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazole
CID 83859173
2-(6-methylnaphthalen-2-yl)piperidine
CID 116962309
5-fluoro-2-(4-methylpiperidin-2-yl)-1,3-benzoxazole
CID 114425040
3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 75526655

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperidin-2-yl-1,3-benzoxazole?
The IUPAC name of 5-methyl-2-piperidin-2-yl-1,3-benzoxazole (CID 60918725) is 5-methyl-2-piperidin-2-yl-1,3-benzoxazole.
What is the SMILES notation for 5-methyl-2-piperidin-2-yl-1,3-benzoxazole?
The canonical SMILES for 5-methyl-2-piperidin-2-yl-1,3-benzoxazole is Cc1ccc2oc(C3CCCCN3)nc2c1.
What is the InChIKey of 5-methyl-2-piperidin-2-yl-1,3-benzoxazole?
The InChIKey is HAYDNTDFQLZYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-5-6-12-11(8-9)15-13(16-12)10-4-2-3-7-14-10/h5-6,8,10,14H,2-4,7H2,1H3.
What are the key properties of 5-methyl-2-piperidin-2-yl-1,3-benzoxazole?
5-methyl-2-piperidin-2-yl-1,3-benzoxazole has a molecular weight of 216.28 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperidin-2-yl-1,3-benzoxazole is sourced from PubChem (CID 60918725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).