4,5-difluoro-7-methyl-1,3-benzoxazol-2-amine

C8H6F2N2O — CID 130512810

IUPAC4,5-difluoro-7-methyl-1,3-benzoxazol-2-amine
SMILESCc1cc(F)c(F)c2nc(N)oc12
InChIInChI=1S/C8H6F2N2O/c1-3-2-4(9)5(10)6-7(3)13-8(11)12-6/h2H,1H3,(H2,11,12)
InChIKeyCYCMFIIJOXWEBD-UHFFFAOYSA-N
MW184.15 g/mol
LogP2.00
Rot. Bonds

About 4,5-difluoro-7-methyl-1,3-benzoxazol-2-amine

4,5-difluoro-7-methyl-1,3-benzoxazol-2-amine (PubChem CID 130512810) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is 4,5-difluoro-7-methyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name4,5-difluoro-7-methyl-1,3-benzoxazol-2-amine
PubChem CID130512810
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name4,5-difluoro-7-methyl-1,3-benzoxazol-2-amine
SMILESCc1cc(F)c(F)c2nc(N)oc12
InChIInChI=1S/C8H6F2N2O/c1-3-2-4(9)5(10)6-7(3)13-8(11)12-6/h2H,1H3,(H2,11,12)
InChIKeyCYCMFIIJOXWEBD-UHFFFAOYSA-N
XLogP2.00
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,5-difluoro-7-methyl-1,3-benzoxazol-2-amine 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

4-fluoro-7-methyl-1,3-benzoxazol-2-amine
CID 66644540
7-methyl-1,3-benzoxazole-2,5-diamine
CID 95910767
7-chloro-4-methyl-1,3-benzoxazol-2-amine
CID 82229807
2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine
CID 82232746
4-methylbenzo[g][1,3]benzoxazol-2-amine
CID 126618076
3,6-difluoro-5-methylpyridin-2-amine
CID 135201533
5-chloro-7-methyl-1,3-benzoxazol-2-amine
CID 62368889
6,7-difluoro-1,3-benzoxazol-2-amine;hydrochloride
CID 75488555
7,8-difluoro-3-methylquinolin-2-amine
CID 63232819
5,6,7-trifluoro-3-methylquinolin-2-amine
CID 63232439
3-fluoro-2,5,6-trimethylpyridine
CID 69005748
3-tert-butyl-5,8-difluoro-6-methylquinolin-2-amine
CID 103587512

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-7-methyl-1,3-benzoxazol-2-amine?
The IUPAC name of 4,5-difluoro-7-methyl-1,3-benzoxazol-2-amine (CID 130512810) is 4,5-difluoro-7-methyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 4,5-difluoro-7-methyl-1,3-benzoxazol-2-amine?
The canonical SMILES for 4,5-difluoro-7-methyl-1,3-benzoxazol-2-amine is Cc1cc(F)c(F)c2nc(N)oc12.
What is the InChIKey of 4,5-difluoro-7-methyl-1,3-benzoxazol-2-amine?
The InChIKey is CYCMFIIJOXWEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c1-3-2-4(9)5(10)6-7(3)13-8(11)12-6/h2H,1H3,(H2,11,12).
What are the key properties of 4,5-difluoro-7-methyl-1,3-benzoxazol-2-amine?
4,5-difluoro-7-methyl-1,3-benzoxazol-2-amine has a molecular weight of 184.15 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-7-methyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 130512810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).