2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-benzoxazole-2,5-diamine

C14H22N4O — CID 79885011

IUPAC2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-benzoxazole-2,5-diamine
SMILESCN(C)CC(C)(C)CNc1nc2cc(N)ccc2o1
InChIInChI=1S/C14H22N4O/c1-14(2,9-18(3)4)8-16-13-17-11-7-10(15)5-6-12(11)19-13/h5-7H,8-9,15H2,1-4H3,(H,16,17)
InChIKeyVZNADZWPUYXWTC-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.41
Rot. Bonds5

About 2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-benzoxazole-2,5-diamine

2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-benzoxazole-2,5-diamine (PubChem CID 79885011) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-benzoxazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-benzoxazole-2,5-diamine
PubChem CID79885011
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-benzoxazole-2,5-diamine
SMILESCN(C)CC(C)(C)CNc1nc2cc(N)ccc2o1
InChIInChI=1S/C14H22N4O/c1-14(2,9-18(3)4)8-16-13-17-11-7-10(15)5-6-12(11)19-13/h5-7H,8-9,15H2,1-4H3,(H,16,17)
InChIKeyVZNADZWPUYXWTC-UHFFFAOYSA-N
XLogP2.41
TPSA67.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-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

3-[(5-amino-1,3-benzoxazol-2-yl)amino]-2,2-difluoropropan-1-ol
CID 114152950
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1,3-benzoxazole-6-carboxylic acid
CID 116690440
2-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3-benzoxazole-2,5-diamine
CID 80525948
2-N-[4-[methyl(propan-2-yl)amino]butyl]-1,3-benzoxazole-2,5-diamine
CID 79890125
2-N-[(3-methylcyclopentyl)methyl]-1,3-benzoxazole-2,5-diamine
CID 107411287
N-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide
CID 79885842
2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine
CID 79884557
2-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-2,5-diamine
CID 79885847
6-[(5-amino-1,3-benzoxazol-2-yl)amino]hexan-1-ol
CID 107844096
1-[(5-amino-1,3-benzoxazol-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79890676
2-N-(3-methoxy-2-methylpropyl)-1,3-benzoxazole-2,5-diamine
CID 79890051
2-chloro-1-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzene-1,4-diamine
CID 28903125

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-benzoxazole-2,5-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-benzoxazole-2,5-diamine (CID 79885011) is 2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-benzoxazole-2,5-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-benzoxazole-2,5-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-benzoxazole-2,5-diamine is CN(C)CC(C)(C)CNc1nc2cc(N)ccc2o1.
What is the InChIKey of 2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-benzoxazole-2,5-diamine?
The InChIKey is VZNADZWPUYXWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2,9-18(3)4)8-16-13-17-11-7-10(15)5-6-12(11)19-13/h5-7H,8-9,15H2,1-4H3,(H,16,17).
What are the key properties of 2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-benzoxazole-2,5-diamine?
2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-benzoxazole-2,5-diamine has a molecular weight of 262.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-benzoxazole-2,5-diamine is sourced from PubChem (CID 79885011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).