2-N-butan-2-yl-2-N-ethyl-1,3-benzoxazole-2,5-diamine

C13H19N3O — CID 79884734

IUPAC2-N-butan-2-yl-2-N-ethyl-1,3-benzoxazole-2,5-diamine
SMILESCCC(C)N(CC)c1nc2cc(N)ccc2o1
InChIInChI=1S/C13H19N3O/c1-4-9(3)16(5-2)13-15-11-8-10(14)6-7-12(11)17-13/h6-9H,4-5,14H2,1-3H3
InChIKeyNCECFTNSYFLEAC-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.03
Rot. Bonds4

About 2-N-butan-2-yl-2-N-ethyl-1,3-benzoxazole-2,5-diamine

2-N-butan-2-yl-2-N-ethyl-1,3-benzoxazole-2,5-diamine (PubChem CID 79884734) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-ethyl-1,3-benzoxazole-2,5-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-ethyl-1,3-benzoxazole-2,5-diamine
PubChem CID79884734
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-N-butan-2-yl-2-N-ethyl-1,3-benzoxazole-2,5-diamine
SMILESCCC(C)N(CC)c1nc2cc(N)ccc2o1
InChIInChI=1S/C13H19N3O/c1-4-9(3)16(5-2)13-15-11-8-10(14)6-7-12(11)17-13/h6-9H,4-5,14H2,1-3H3
InChIKeyNCECFTNSYFLEAC-UHFFFAOYSA-N
XLogP3.03
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-N-(2-methylpropyl)-2-N-pentan-3-yl-1,3-benzoxazole-2,5-diamine
CID 79891209
2-N-butan-2-yl-2-N-(2-methoxyethyl)-1,3-benzoxazole-2,6-diamine
CID 79893060
2-N-methyl-2-N-(3-methylbutan-2-yl)-1,3-benzoxazole-2,5-diamine
CID 79885359
2-N-(2-ethoxyethyl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine
CID 79891045
2-N-(4-ethylcyclohexyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine
CID 79890644
2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3-benzoxazole-2,5-diamine
CID 79891032
2-N-methyl-2-N-phenyl-1,3-benzoxazole-2,5-diamine
CID 79885344
1-[(5-amino-1,3-benzoxazol-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79890676
(1S)-1-(5-amino-1,3-benzoxazol-2-yl)ethanol
CID 66263440
2-heptan-4-yl-1,3-benzoxazol-5-amine
CID 79022123
2-(butan-2-ylsulfinylmethyl)-1,3-benzoxazol-5-amine
CID 79972162
2-[(5-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide
CID 79890875

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-ethyl-1,3-benzoxazole-2,5-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-ethyl-1,3-benzoxazole-2,5-diamine (CID 79884734) is 2-N-butan-2-yl-2-N-ethyl-1,3-benzoxazole-2,5-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-ethyl-1,3-benzoxazole-2,5-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-ethyl-1,3-benzoxazole-2,5-diamine is CCC(C)N(CC)c1nc2cc(N)ccc2o1.
What is the InChIKey of 2-N-butan-2-yl-2-N-ethyl-1,3-benzoxazole-2,5-diamine?
The InChIKey is NCECFTNSYFLEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-9(3)16(5-2)13-15-11-8-10(14)6-7-12(11)17-13/h6-9H,4-5,14H2,1-3H3.
What are the key properties of 2-N-butan-2-yl-2-N-ethyl-1,3-benzoxazole-2,5-diamine?
2-N-butan-2-yl-2-N-ethyl-1,3-benzoxazole-2,5-diamine has a molecular weight of 233.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-ethyl-1,3-benzoxazole-2,5-diamine is sourced from PubChem (CID 79884734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).