2-N-(2,2-dimethylpropyl)-4-[6-(4-fluoro-2-methylphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzene-1,2-diamine

C23H25FN4O — CID 89271745

IUPAC2-N-(2,2-dimethylpropyl)-4-[6-(4-fluoro-2-methylphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzene-1,2-diamine
SMILESCc1cc(F)ccc1-c1nc2occn2c1-c1ccc(N)c(NCC(C)(C)C)c1
InChIInChI=1S/C23H25FN4O/c1-14-11-16(24)6-7-17(14)20-21(28-9-10-29-22(28)27-20)15-5-8-18(25)19(12-15)26-13-23(2,3)4/h5-12,26H,13,25H2,1-4H3
InChIKeyWMFWGPRGNVDUSK-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.75
Rot. Bonds4

About 2-N-(2,2-dimethylpropyl)-4-[6-(4-fluoro-2-methylphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzene-1,2-diamine

2-N-(2,2-dimethylpropyl)-4-[6-(4-fluoro-2-methylphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzene-1,2-diamine (PubChem CID 89271745) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-N-(2,2-dimethylpropyl)-4-[6-(4-fluoro-2-methylphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethylpropyl)-4-[6-(4-fluoro-2-methylphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzene-1,2-diamine
PubChem CID89271745
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name2-N-(2,2-dimethylpropyl)-4-[6-(4-fluoro-2-methylphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzene-1,2-diamine
SMILESCc1cc(F)ccc1-c1nc2occn2c1-c1ccc(N)c(NCC(C)(C)C)c1
InChIInChI=1S/C23H25FN4O/c1-14-11-16(24)6-7-17(14)20-21(28-9-10-29-22(28)27-20)15-5-8-18(25)19(12-15)26-13-23(2,3)4/h5-12,26H,13,25H2,1-4H3
InChIKeyWMFWGPRGNVDUSK-UHFFFAOYSA-N
XLogP5.75
TPSA68.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-dimethylpropyl)-4-[6-(4-fluoro-2-methylphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzene-1,2-diamine?
The IUPAC name of 2-N-(2,2-dimethylpropyl)-4-[6-(4-fluoro-2-methylphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzene-1,2-diamine (CID 89271745) is 2-N-(2,2-dimethylpropyl)-4-[6-(4-fluoro-2-methylphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-(2,2-dimethylpropyl)-4-[6-(4-fluoro-2-methylphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzene-1,2-diamine?
The canonical SMILES for 2-N-(2,2-dimethylpropyl)-4-[6-(4-fluoro-2-methylphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzene-1,2-diamine is Cc1cc(F)ccc1-c1nc2occn2c1-c1ccc(N)c(NCC(C)(C)C)c1.
What is the InChIKey of 2-N-(2,2-dimethylpropyl)-4-[6-(4-fluoro-2-methylphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzene-1,2-diamine?
The InChIKey is WMFWGPRGNVDUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-14-11-16(24)6-7-17(14)20-21(28-9-10-29-22(28)27-20)15-5-8-18(25)19(12-15)26-13-23(2,3)4/h5-12,26H,13,25H2,1-4H3.
What are the key properties of 2-N-(2,2-dimethylpropyl)-4-[6-(4-fluoro-2-methylphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzene-1,2-diamine?
2-N-(2,2-dimethylpropyl)-4-[6-(4-fluoro-2-methylphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzene-1,2-diamine has a molecular weight of 392.48 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethylpropyl)-4-[6-(4-fluoro-2-methylphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzene-1,2-diamine is sourced from PubChem (CID 89271745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).