2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine

C15H21N3O — CID 62656149

IUPAC2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NCC3CCCN(C)C3)ccc2o1
InChIInChI=1S/C15H21N3O/c1-11-17-14-8-13(5-6-15(14)19-11)16-9-12-4-3-7-18(2)10-12/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3
InChIKeyROSUKUMGTWEDHJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.89
Rot. Bonds3

About 2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine

2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine (PubChem CID 62656149) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine
PubChem CID62656149
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NCC3CCCN(C)C3)ccc2o1
InChIInChI=1S/C15H21N3O/c1-11-17-14-8-13(5-6-15(14)19-11)16-9-12-4-3-7-18(2)10-12/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3
InChIKeyROSUKUMGTWEDHJ-UHFFFAOYSA-N
XLogP2.89
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine
CID 55100756
6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine
CID 81260551
N-ethyl-2-methyl-1,3-benzoxazol-5-amine
CID 28676121
2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzonitrile
CID 81273459
2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 115229812
2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol
CID 64780913
N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine
CID 28675875
2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-5-amine
CID 115230302
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-1,3-benzoxazol-5-amine
CID 62066523
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
CID 62655999
2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzenecarbothioamide
CID 81276733
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 43308421

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine (CID 62656149) is 2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine is Cc1nc2cc(NCC3CCCN(C)C3)ccc2o1.
What is the InChIKey of 2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine?
The InChIKey is ROSUKUMGTWEDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-17-14-8-13(5-6-15(14)19-11)16-9-12-4-3-7-18(2)10-12/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine?
2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine has a molecular weight of 259.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 62656149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).