2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine

C14H20N2O — CID 54866667

IUPAC2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine
SMILESCCc1nc2cc(NC(C)C(C)C)ccc2o1
InChIInChI=1S/C14H20N2O/c1-5-14-16-12-8-11(6-7-13(12)17-14)15-10(4)9(2)3/h6-10,15H,5H2,1-4H3
InChIKeyDGOJJCVGJYWPPS-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.85
Rot. Bonds4

About 2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine

2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine (PubChem CID 54866667) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine
PubChem CID54866667
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine
SMILESCCc1nc2cc(NC(C)C(C)C)ccc2o1
InChIInChI=1S/C14H20N2O/c1-5-14-16-12-8-11(6-7-13(12)17-14)15-10(4)9(2)3/h6-10,15H,5H2,1-4H3
InChIKeyDGOJJCVGJYWPPS-UHFFFAOYSA-N
XLogP3.85
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol
CID 65337571
2-ethyl-N-methyl-1,3-benzoxazol-5-amine
CID 63090196
N-[1-(2-bromophenyl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine
CID 63452114
N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine
CID 61000799
2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
CID 54881596
2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine
CID 54866635
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
2-ethyl-N-hexyl-1,3-benzoxazol-5-amine
CID 63451586
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 60944281
2-ethyl-N-(3-propan-2-ylcyclohexyl)-1,3-benzoxazol-5-amine
CID 107448361
3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide
CID 62837775
2-ethyl-1,3-benzoxazole-5-thiol
CID 131010364

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine (CID 54866667) is 2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine is CCc1nc2cc(NC(C)C(C)C)ccc2o1.
What is the InChIKey of 2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine?
The InChIKey is DGOJJCVGJYWPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-5-14-16-12-8-11(6-7-13(12)17-14)15-10(4)9(2)3/h6-10,15H,5H2,1-4H3.
What are the key properties of 2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine?
2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine has a molecular weight of 232.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 54866667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).