2-N,2-N-dimethyl-6-N-propan-2-yl-1,3-benzoxazole-2,6-diamine

C12H17N3O — CID 115921759

IUPAC2-N,2-N-dimethyl-6-N-propan-2-yl-1,3-benzoxazole-2,6-diamine
SMILESCC(C)Nc1ccc2nc(N(C)C)oc2c1
InChIInChI=1S/C12H17N3O/c1-8(2)13-9-5-6-10-11(7-9)16-12(14-10)15(3)4/h5-8,13H,1-4H3
InChIKeyKEOPBNBIYOWEDM-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.71
Rot. Bonds3

About 2-N,2-N-dimethyl-6-N-propan-2-yl-1,3-benzoxazole-2,6-diamine

2-N,2-N-dimethyl-6-N-propan-2-yl-1,3-benzoxazole-2,6-diamine (PubChem CID 115921759) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-N-propan-2-yl-1,3-benzoxazole-2,6-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-N-propan-2-yl-1,3-benzoxazole-2,6-diamine
PubChem CID115921759
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-N,2-N-dimethyl-6-N-propan-2-yl-1,3-benzoxazole-2,6-diamine
SMILESCC(C)Nc1ccc2nc(N(C)C)oc2c1
InChIInChI=1S/C12H17N3O/c1-8(2)13-9-5-6-10-11(7-9)16-12(14-10)15(3)4/h5-8,13H,1-4H3
InChIKeyKEOPBNBIYOWEDM-UHFFFAOYSA-N
XLogP2.71
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[2-(dimethylamino)-1,3-benzoxazol-6-yl]amino]methyl]-2-methoxyphenol
CID 71968069
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
N-propan-2-yl-1,2-benzoxazol-6-amine
CID 146317890
N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-3-ethoxypiperidine-1-carboxamide
CID 71846843
5-N-[cyclopropyl(pyridin-2-yl)methyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine
CID 139019142
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 84562589
5-fluoro-2-N,2-N-dimethyl-1,3-benzoxazole-2,6-diamine
CID 89370463
5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine
CID 170202374
N-methyl-4-[1-[(2-methyl-1,3-benzoxazol-6-yl)amino]ethyl]benzenesulfonamide
CID 86782704
2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide
CID 119893522
chloromethane;[7-(dimethylamino)phenoxazin-3-ylidene]-dimethylazanium
CID 143958527
zinc;[7-(dimethylamino)phenoxazin-3-ylidene]-dimethylazanium;trichloride
CID 56841855

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-N-propan-2-yl-1,3-benzoxazole-2,6-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-N-propan-2-yl-1,3-benzoxazole-2,6-diamine (CID 115921759) is 2-N,2-N-dimethyl-6-N-propan-2-yl-1,3-benzoxazole-2,6-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-N-propan-2-yl-1,3-benzoxazole-2,6-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-N-propan-2-yl-1,3-benzoxazole-2,6-diamine is CC(C)Nc1ccc2nc(N(C)C)oc2c1.
What is the InChIKey of 2-N,2-N-dimethyl-6-N-propan-2-yl-1,3-benzoxazole-2,6-diamine?
The InChIKey is KEOPBNBIYOWEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(2)13-9-5-6-10-11(7-9)16-12(14-10)15(3)4/h5-8,13H,1-4H3.
What are the key properties of 2-N,2-N-dimethyl-6-N-propan-2-yl-1,3-benzoxazole-2,6-diamine?
2-N,2-N-dimethyl-6-N-propan-2-yl-1,3-benzoxazole-2,6-diamine has a molecular weight of 219.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-N-propan-2-yl-1,3-benzoxazole-2,6-diamine is sourced from PubChem (CID 115921759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).