2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine

C13H17N3O2 — CID 79893343

IUPAC2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine
SMILESCN(CC1CCCO1)c1nc2ccc(N)cc2o1
InChIInChI=1S/C13H17N3O2/c1-16(8-10-3-2-6-17-10)13-15-11-5-4-9(14)7-12(11)18-13/h4-5,7,10H,2-3,6,8,14H2,1H3
InChIKeyTUZRNMAYBQLXCG-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.03
Rot. Bonds3

About 2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine

2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine (PubChem CID 79893343) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine
PubChem CID79893343
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine
SMILESCN(CC1CCCO1)c1nc2ccc(N)cc2o1
InChIInChI=1S/C13H17N3O2/c1-16(8-10-3-2-6-17-10)13-15-11-5-4-9(14)7-12(11)18-13/h4-5,7,10H,2-3,6,8,14H2,1H3
InChIKeyTUZRNMAYBQLXCG-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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-N-(cyclobutylmethyl)-2-N-methyl-1,3-benzoxazole-2,6-diamine
CID 79893302
2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,6-diamine
CID 79892463
2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine
CID 79890340
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1,3-benzoxazole-2,6-diamine
CID 105414159
1-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]propan-2-ol
CID 79892783
2-(oxolan-2-ylmethylsulfanylmethyl)-1,3-benzoxazol-6-amine
CID 106494170
3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
CID 55091165
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79893019
2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3-benzoxazole-2,6-diamine
CID 79892602
2-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79890561
4-chloro-3-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 61430964
2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79996144

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine?
The IUPAC name of 2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine (CID 79893343) is 2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine?
The canonical SMILES for 2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine is CN(CC1CCCO1)c1nc2ccc(N)cc2o1.
What is the InChIKey of 2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine?
The InChIKey is TUZRNMAYBQLXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16(8-10-3-2-6-17-10)13-15-11-5-4-9(14)7-12(11)18-13/h4-5,7,10H,2-3,6,8,14H2,1H3.
What are the key properties of 2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine?
2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine has a molecular weight of 247.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine is sourced from PubChem (CID 79893343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).