2-(azetidin-1-ylmethyl)-N-methyl-1,3-benzoxazol-5-amine

C12H15N3O — CID 167253315

IUPAC2-(azetidin-1-ylmethyl)-N-methyl-1,3-benzoxazol-5-amine
SMILESCNc1ccc2oc(CN3CCC3)nc2c1
InChIInChI=1S/C12H15N3O/c1-13-9-3-4-11-10(7-9)14-12(16-11)8-15-5-2-6-15/h3-4,7,13H,2,5-6,8H2,1H3
InChIKeyAZMSTVCMNZFMEE-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.08
Rot. Bonds3

About 2-(azetidin-1-ylmethyl)-N-methyl-1,3-benzoxazol-5-amine

2-(azetidin-1-ylmethyl)-N-methyl-1,3-benzoxazol-5-amine (PubChem CID 167253315) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(azetidin-1-ylmethyl)-N-methyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(azetidin-1-ylmethyl)-N-methyl-1,3-benzoxazol-5-amine
PubChem CID167253315
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(azetidin-1-ylmethyl)-N-methyl-1,3-benzoxazol-5-amine
SMILESCNc1ccc2oc(CN3CCC3)nc2c1
InChIInChI=1S/C12H15N3O/c1-13-9-3-4-11-10(7-9)14-12(16-11)8-15-5-2-6-15/h3-4,7,13H,2,5-6,8H2,1H3
InChIKeyAZMSTVCMNZFMEE-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-methyl-1,3-benzoxazol-5-amine
CID 63090196
2-(azocan-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79964558
2-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 71915904
2-[(3Z,5E)-5-fluorohepta-3,5-dienyl]-N-methyl-1,3-benzoxazol-5-amine
CID 155310830
2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine
CID 79959976
N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53000002
2-[(4-methylpiperazin-1-yl)methyl]-5-(piperazin-1-ylmethyl)-1,3-benzoxazole
CID 83949516
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,3-benzoxazol-5-amine
CID 79959773
2-[4-[(5-amino-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]ethanol
CID 79964992
2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine
CID 54866667
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-5-amine
CID 114462412
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 115558977

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-ylmethyl)-N-methyl-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(azetidin-1-ylmethyl)-N-methyl-1,3-benzoxazol-5-amine (CID 167253315) is 2-(azetidin-1-ylmethyl)-N-methyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(azetidin-1-ylmethyl)-N-methyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(azetidin-1-ylmethyl)-N-methyl-1,3-benzoxazol-5-amine is CNc1ccc2oc(CN3CCC3)nc2c1.
What is the InChIKey of 2-(azetidin-1-ylmethyl)-N-methyl-1,3-benzoxazol-5-amine?
The InChIKey is AZMSTVCMNZFMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-13-9-3-4-11-10(7-9)14-12(16-11)8-15-5-2-6-15/h3-4,7,13H,2,5-6,8H2,1H3.
What are the key properties of 2-(azetidin-1-ylmethyl)-N-methyl-1,3-benzoxazol-5-amine?
2-(azetidin-1-ylmethyl)-N-methyl-1,3-benzoxazol-5-amine has a molecular weight of 217.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-ylmethyl)-N-methyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 167253315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).