N-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine

C12H15N3O — CID 115207431

IUPACN-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine
SMILESCN(CC1CNC1)c1ccc2ncoc2c1
InChIInChI=1S/C12H15N3O/c1-15(7-9-5-13-6-9)10-2-3-11-12(4-10)16-8-14-11/h2-4,8-9,13H,5-7H2,1H3
InChIKeyZZTDUKHCKJYSTF-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.48
Rot. Bonds3

About N-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine

N-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine (PubChem CID 115207431) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine
PubChem CID115207431
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine
SMILESCN(CC1CNC1)c1ccc2ncoc2c1
InChIInChI=1S/C12H15N3O/c1-15(7-9-5-13-6-9)10-2-3-11-12(4-10)16-8-14-11/h2-4,8-9,13H,5-7H2,1H3
InChIKeyZZTDUKHCKJYSTF-UHFFFAOYSA-N
XLogP1.48
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azetidin-3-ylmethyl)-1,3-benzoxazole
CID 116925337
N-(3-chloropropyl)-N-methyl-1,3-benzoxazol-6-amine
CID 115215548
N'-(1,3-benzoxazol-6-yl)-N'-methylbutane-1,4-diamine
CID 115201146
methyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate
CID 115232814
N'-(1,3-benzoxazol-6-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 115206397
N-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline
CID 115207341
N-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115207340
N-(azetidin-3-ylmethyl)-2-(1,3-benzoxazol-6-yl)-2-methylpropan-1-amine
CID 115208013
4-[azetidin-3-ylmethyl(methyl)amino]phenol
CID 84664189
4-amino-1-[1,3-benzoxazol-6-yl(methyl)amino]butan-2-ol
CID 117039134
N-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine
CID 115207468
2-N-(1,3-benzoxazol-6-yl)-2-N-methylpropane-1,2-diamine
CID 117039932

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine?
The IUPAC name of N-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine (CID 115207431) is N-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine is CN(CC1CNC1)c1ccc2ncoc2c1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine?
The InChIKey is ZZTDUKHCKJYSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15(7-9-5-13-6-9)10-2-3-11-12(4-10)16-8-14-11/h2-4,8-9,13H,5-7H2,1H3.
What are the key properties of N-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine?
N-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine has a molecular weight of 217.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine is sourced from PubChem (CID 115207431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).