5-N-[cyclopropyl(pyridin-2-yl)methyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine

C18H20N4O — CID 139019142

IUPAC5-N-[cyclopropyl(pyridin-2-yl)methyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine
SMILESCN(C)c1nc2cc(NC(c3ccccn3)C3CC3)ccc2o1
InChIInChI=1S/C18H20N4O/c1-22(2)18-21-15-11-13(8-9-16(15)23-18)20-17(12-6-7-12)14-5-3-4-10-19-14/h3-5,8-12,17,20H,6-7H2,1-2H3
InChIKeyBVEKLXXLOGKYLQ-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.85
Rot. Bonds5

About 5-N-[cyclopropyl(pyridin-2-yl)methyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine

5-N-[cyclopropyl(pyridin-2-yl)methyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine (PubChem CID 139019142) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 5-N-[cyclopropyl(pyridin-2-yl)methyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine.

Molecular Properties

Compound Name5-N-[cyclopropyl(pyridin-2-yl)methyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine
PubChem CID139019142
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name5-N-[cyclopropyl(pyridin-2-yl)methyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine
SMILESCN(C)c1nc2cc(NC(c3ccccn3)C3CC3)ccc2o1
InChIInChI=1S/C18H20N4O/c1-22(2)18-21-15-11-13(8-9-16(15)23-18)20-17(12-6-7-12)14-5-3-4-10-19-14/h3-5,8-12,17,20H,6-7H2,1-2H3
InChIKeyBVEKLXXLOGKYLQ-UHFFFAOYSA-N
XLogP3.85
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-N-[cyclopropyl(pyridin-2-yl)methyl]-2-N,2-N-dimethyl-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-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120801059
5-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine
CID 97059814
2-N,2-N-dimethyl-6-N-propan-2-yl-1,3-benzoxazole-2,6-diamine
CID 115921759
N-methyl-1-(4-methylcyclohexyl)-1-pyridin-2-ylmethanamine
CID 64776650
N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 71915783
1,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]benzimidazol-5-amine
CID 99851890
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]acetamide
CID 119893511
N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120942321
2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide
CID 119893522
N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120942320
(1S)-N-(dicyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 28660896
N-[cyclopentyl(pyridin-2-yl)methyl]prop-2-yn-1-amine
CID 115898275

Frequently Asked Questions

What is the IUPAC name of 5-N-[cyclopropyl(pyridin-2-yl)methyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine?
The IUPAC name of 5-N-[cyclopropyl(pyridin-2-yl)methyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine (CID 139019142) is 5-N-[cyclopropyl(pyridin-2-yl)methyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine.
What is the SMILES notation for 5-N-[cyclopropyl(pyridin-2-yl)methyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine?
The canonical SMILES for 5-N-[cyclopropyl(pyridin-2-yl)methyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine is CN(C)c1nc2cc(NC(c3ccccn3)C3CC3)ccc2o1.
What is the InChIKey of 5-N-[cyclopropyl(pyridin-2-yl)methyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine?
The InChIKey is BVEKLXXLOGKYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-22(2)18-21-15-11-13(8-9-16(15)23-18)20-17(12-6-7-12)14-5-3-4-10-19-14/h3-5,8-12,17,20H,6-7H2,1-2H3.
What are the key properties of 5-N-[cyclopropyl(pyridin-2-yl)methyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine?
5-N-[cyclopropyl(pyridin-2-yl)methyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine has a molecular weight of 308.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[cyclopropyl(pyridin-2-yl)methyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine is sourced from PubChem (CID 139019142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).