2-N-(2,2-dicyclopropylethyl)-1,3-benzoxazole-2,5-diamine

C15H19N3O — CID 79890367

IUPAC2-N-(2,2-dicyclopropylethyl)-1,3-benzoxazole-2,5-diamine
SMILESNc1ccc2oc(NCC(C3CC3)C3CC3)nc2c1
InChIInChI=1S/C15H19N3O/c16-11-5-6-14-13(7-11)18-15(19-14)17-8-12(9-1-2-9)10-3-4-10/h5-7,9-10,12H,1-4,8,16H2,(H,17,18)
InChIKeyZLCGZTIHWHJAJF-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.26
Rot. Bonds5

About 2-N-(2,2-dicyclopropylethyl)-1,3-benzoxazole-2,5-diamine

2-N-(2,2-dicyclopropylethyl)-1,3-benzoxazole-2,5-diamine (PubChem CID 79890367) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-N-(2,2-dicyclopropylethyl)-1,3-benzoxazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,2-dicyclopropylethyl)-1,3-benzoxazole-2,5-diamine
PubChem CID79890367
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-N-(2,2-dicyclopropylethyl)-1,3-benzoxazole-2,5-diamine
SMILESNc1ccc2oc(NCC(C3CC3)C3CC3)nc2c1
InChIInChI=1S/C15H19N3O/c16-11-5-6-14-13(7-11)18-15(19-14)17-8-12(9-1-2-9)10-3-4-10/h5-7,9-10,12H,1-4,8,16H2,(H,17,18)
InChIKeyZLCGZTIHWHJAJF-UHFFFAOYSA-N
XLogP3.26
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-N-(2,2-dicyclopropylethyl)-1,3-benzoxazole-2,5-diamine 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

2-N-(1-cyclopropylethyl)-1,3-benzoxazole-2,5-diamine
CID 79885238
2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzoxazole-2,5-diamine
CID 79890123
2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine
CID 79884557
2-N-[(3-methylcyclopentyl)methyl]-1,3-benzoxazole-2,5-diamine
CID 107411287
2-N-(3-methoxy-2-methylpropyl)-1,3-benzoxazole-2,5-diamine
CID 79890051
2-N-[(2-methylcyclopentyl)methyl]-1,3-benzoxazole-2,5-diamine
CID 107416631
2-N-(1-cyclohexylethyl)-1,3-benzoxazole-2,5-diamine
CID 79891040
2-N-[(1-ethylpiperidin-4-yl)methyl]-1,3-benzoxazole-2,5-diamine
CID 79890198
2-N-(thiolan-3-yl)-1,3-benzoxazole-2,5-diamine
CID 103062414
2-N-(1,4-dithian-2-ylmethyl)-1,3-benzoxazole-2,5-diamine
CID 113489297
6-[(5-amino-1,3-benzoxazol-2-yl)amino]hexan-1-ol
CID 107844096
2-N-(4-methylcyclohexyl)-1,3-benzoxazole-2,5-diamine
CID 79885447

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-dicyclopropylethyl)-1,3-benzoxazole-2,5-diamine?
The IUPAC name of 2-N-(2,2-dicyclopropylethyl)-1,3-benzoxazole-2,5-diamine (CID 79890367) is 2-N-(2,2-dicyclopropylethyl)-1,3-benzoxazole-2,5-diamine.
What is the SMILES notation for 2-N-(2,2-dicyclopropylethyl)-1,3-benzoxazole-2,5-diamine?
The canonical SMILES for 2-N-(2,2-dicyclopropylethyl)-1,3-benzoxazole-2,5-diamine is Nc1ccc2oc(NCC(C3CC3)C3CC3)nc2c1.
What is the InChIKey of 2-N-(2,2-dicyclopropylethyl)-1,3-benzoxazole-2,5-diamine?
The InChIKey is ZLCGZTIHWHJAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-11-5-6-14-13(7-11)18-15(19-14)17-8-12(9-1-2-9)10-3-4-10/h5-7,9-10,12H,1-4,8,16H2,(H,17,18).
What are the key properties of 2-N-(2,2-dicyclopropylethyl)-1,3-benzoxazole-2,5-diamine?
2-N-(2,2-dicyclopropylethyl)-1,3-benzoxazole-2,5-diamine has a molecular weight of 257.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dicyclopropylethyl)-1,3-benzoxazole-2,5-diamine is sourced from PubChem (CID 79890367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).