2-[[methyl(oxolan-3-yl)amino]methyl]-1,3-benzoxazol-5-amine

C13H17N3O2 — CID 82732996

IUPAC2-[[methyl(oxolan-3-yl)amino]methyl]-1,3-benzoxazol-5-amine
SMILESCN(Cc1nc2cc(N)ccc2o1)C1CCOC1
InChIInChI=1S/C13H17N3O2/c1-16(10-4-5-17-8-10)7-13-15-11-6-9(14)2-3-12(11)18-13/h2-3,6,10H,4-5,7-8,14H2,1H3
InChIKeyWLLACWPKADOLSD-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.63
Rot. Bonds3

About 2-[[methyl(oxolan-3-yl)amino]methyl]-1,3-benzoxazol-5-amine

2-[[methyl(oxolan-3-yl)amino]methyl]-1,3-benzoxazol-5-amine (PubChem CID 82732996) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[[methyl(oxolan-3-yl)amino]methyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-[[methyl(oxolan-3-yl)amino]methyl]-1,3-benzoxazol-5-amine
PubChem CID82732996
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[[methyl(oxolan-3-yl)amino]methyl]-1,3-benzoxazol-5-amine
SMILESCN(Cc1nc2cc(N)ccc2o1)C1CCOC1
InChIInChI=1S/C13H17N3O2/c1-16(10-4-5-17-8-10)7-13-15-11-6-9(14)2-3-12(11)18-13/h2-3,6,10H,4-5,7-8,14H2,1H3
InChIKeyWLLACWPKADOLSD-UHFFFAOYSA-N
XLogP1.63
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79995589
2-[[methyl(oxolan-3-yl)amino]methyl]-3H-benzimidazol-5-amine
CID 82731856
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-1,3-benzoxazol-5-amine
CID 79965084
4-amino-2-[[methyl(oxolan-3-yl)amino]methyl]phenol
CID 82732035
2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1,3-benzoxazol-5-amine
CID 79964226
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine
CID 79964568
2-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-5-amine
CID 79964128
2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine
CID 79964561
2-[(5-amino-1,3-benzoxazol-2-yl)methyl-cyclopentylamino]acetamide
CID 79959943
2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79996144
2-N-(4-ethylcyclohexyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine
CID 79890644
2-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-benzoxazol-5-amine
CID 79964731

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(oxolan-3-yl)amino]methyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-[[methyl(oxolan-3-yl)amino]methyl]-1,3-benzoxazol-5-amine (CID 82732996) is 2-[[methyl(oxolan-3-yl)amino]methyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-[[methyl(oxolan-3-yl)amino]methyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-[[methyl(oxolan-3-yl)amino]methyl]-1,3-benzoxazol-5-amine is CN(Cc1nc2cc(N)ccc2o1)C1CCOC1.
What is the InChIKey of 2-[[methyl(oxolan-3-yl)amino]methyl]-1,3-benzoxazol-5-amine?
The InChIKey is WLLACWPKADOLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16(10-4-5-17-8-10)7-13-15-11-6-9(14)2-3-12(11)18-13/h2-3,6,10H,4-5,7-8,14H2,1H3.
What are the key properties of 2-[[methyl(oxolan-3-yl)amino]methyl]-1,3-benzoxazol-5-amine?
2-[[methyl(oxolan-3-yl)amino]methyl]-1,3-benzoxazol-5-amine has a molecular weight of 247.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(oxolan-3-yl)amino]methyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 82732996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).