2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-benzoxazole-2,4-diamine

C14H21N3O2 — CID 79893354

IUPAC2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-benzoxazole-2,4-diamine
SMILESCOCCN(CC(C)C)c1nc2c(N)cccc2o1
InChIInChI=1S/C14H21N3O2/c1-10(2)9-17(7-8-18-3)14-16-13-11(15)5-4-6-12(13)19-14/h4-6,10H,7-9,15H2,1-3H3
InChIKeyOSLFBFUOAQAZOA-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.52
Rot. Bonds6

About 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-benzoxazole-2,4-diamine

2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-benzoxazole-2,4-diamine (PubChem CID 79893354) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-benzoxazole-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-benzoxazole-2,4-diamine
PubChem CID79893354
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-benzoxazole-2,4-diamine
SMILESCOCCN(CC(C)C)c1nc2c(N)cccc2o1
InChIInChI=1S/C14H21N3O2/c1-10(2)9-17(7-8-18-3)14-16-13-11(15)5-4-6-12(13)19-14/h4-6,10H,7-9,15H2,1-3H3
InChIKeyOSLFBFUOAQAZOA-UHFFFAOYSA-N
XLogP2.52
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-benzoxazole-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-benzoxazole-2,4-diamine (CID 79893354) is 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-benzoxazole-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-benzoxazole-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-benzoxazole-2,4-diamine is COCCN(CC(C)C)c1nc2c(N)cccc2o1.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-benzoxazole-2,4-diamine?
The InChIKey is OSLFBFUOAQAZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)9-17(7-8-18-3)14-16-13-11(15)5-4-6-12(13)19-14/h4-6,10H,7-9,15H2,1-3H3.
What are the key properties of 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-benzoxazole-2,4-diamine?
2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-benzoxazole-2,4-diamine has a molecular weight of 263.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-benzoxazole-2,4-diamine is sourced from PubChem (CID 79893354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).