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

C14H19N3O — CID 69368653

IUPACN-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzoxazol-2-amine
SMILESCN1CCCC(N(C)c2nc3ccccc3o2)C1
InChIInChI=1S/C14H19N3O/c1-16-9-5-6-11(10-16)17(2)14-15-12-7-3-4-8-13(12)18-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyPNGUWCYBLMRYED-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.36
Rot. Bonds2

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

N-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzoxazol-2-amine (PubChem CID 69368653) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzoxazol-2-amine
PubChem CID69368653
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzoxazol-2-amine
SMILESCN1CCCC(N(C)c2nc3ccccc3o2)C1
InChIInChI=1S/C14H19N3O/c1-16-9-5-6-11(10-16)17(2)14-15-12-7-3-4-8-13(12)18-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyPNGUWCYBLMRYED-UHFFFAOYSA-N
XLogP2.36
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[1,3-benzoxazol-2-yl(methyl)amino]pyrrolidine-1-carboxylate
CID 71647127
2-chloro-N-methyl-N-(1-methylpiperidin-3-yl)quinazolin-4-amine
CID 62545795
N-methyl-N-(1-pyrazin-2-ylazetidin-3-yl)-1,3-benzoxazol-2-amine
CID 146078866
N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine
CID 52672975
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1,3-benzoxazol-2-amine
CID 126918884
2-[methyl-(1-methylpiperidin-3-yl)amino]benzaldehyde
CID 55084333
3-(2-aminoethyl)-N-methyl-N-(1-methylpiperidin-3-yl)imidazo[1,2-a]pyridin-2-amine
CID 63782587
N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpiperidine-3-carboxamide
CID 91766973
N-iodo-N-methyl-1,3-benzoxazol-2-amine
CID 142874451
N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 64587065
6-hydrazinyl-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 80919138
N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-benzoxazol-2-amine
CID 97164630

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzoxazol-2-amine (CID 69368653) is N-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzoxazol-2-amine is CN1CCCC(N(C)c2nc3ccccc3o2)C1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzoxazol-2-amine?
The InChIKey is PNGUWCYBLMRYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-16-9-5-6-11(10-16)17(2)14-15-12-7-3-4-8-13(12)18-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzoxazol-2-amine?
N-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzoxazol-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 69368653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).