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

C13H19N3O2 — CID 79964731

IUPAC2-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-benzoxazol-5-amine
SMILESCOCC(C)N(C)Cc1nc2cc(N)ccc2o1
InChIInChI=1S/C13H19N3O2/c1-9(8-17-3)16(2)7-13-15-11-6-10(14)4-5-12(11)18-13/h4-6,9H,7-8,14H2,1-3H3
InChIKeyYAFCKPZMQSJDNH-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.88
Rot. Bonds5

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

2-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-benzoxazol-5-amine (PubChem CID 79964731) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-benzoxazol-5-amine
PubChem CID79964731
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-benzoxazol-5-amine
SMILESCOCC(C)N(C)Cc1nc2cc(N)ccc2o1
InChIInChI=1S/C13H19N3O2/c1-9(8-17-3)16(2)7-13-15-11-6-10(14)4-5-12(11)18-13/h4-6,9H,7-8,14H2,1-3H3
InChIKeyYAFCKPZMQSJDNH-UHFFFAOYSA-N
XLogP1.88
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.88
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-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79995091
2-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-5-amine
CID 79964128
2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-benzoxazol-5-amine
CID 79964395
2-N-(3-methoxy-2-methylpropyl)-1,3-benzoxazole-2,5-diamine
CID 79890051
2-(pentoxymethyl)-1,3-benzoxazol-5-amine
CID 79972338
2-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79994683
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-1,3-benzoxazol-5-amine
CID 79965084
methyl 2-(5-amino-1,3-benzoxazol-2-yl)acetate
CID 131332887
2-(butan-2-ylsulfinylmethyl)-1,3-benzoxazol-5-amine
CID 79972162
2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine
CID 79964561
3-[(5-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-methylpropanamide
CID 106914591
2-[[methyl(oxolan-3-yl)amino]methyl]-1,3-benzoxazol-5-amine
CID 82732996

Frequently Asked Questions

What is the IUPAC name of 2-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-benzoxazol-5-amine (CID 79964731) is 2-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-benzoxazol-5-amine is COCC(C)N(C)Cc1nc2cc(N)ccc2o1.
What is the InChIKey of 2-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-benzoxazol-5-amine?
The InChIKey is YAFCKPZMQSJDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(8-17-3)16(2)7-13-15-11-6-10(14)4-5-12(11)18-13/h4-6,9H,7-8,14H2,1-3H3.
What are the key properties of 2-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-benzoxazol-5-amine?
2-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-benzoxazol-5-amine has a molecular weight of 249.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 79964731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).