5-(3,5-difluoro-4-methylphenyl)-1,2-oxazol-3-amine

C10H8F2N2O — CID 117299812

IUPAC5-(3,5-difluoro-4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1c(F)cc(-c2cc(N)no2)cc1F
InChIInChI=1S/C10H8F2N2O/c1-5-7(11)2-6(3-8(5)12)9-4-10(13)14-15-9/h2-4H,1H3,(H2,13,14)
InChIKeyPZPHRYBADONFQG-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.51
Rot. Bonds1

About 5-(3,5-difluoro-4-methylphenyl)-1,2-oxazol-3-amine

5-(3,5-difluoro-4-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 117299812) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 5-(3,5-difluoro-4-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3,5-difluoro-4-methylphenyl)-1,2-oxazol-3-amine
PubChem CID117299812
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name5-(3,5-difluoro-4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1c(F)cc(-c2cc(N)no2)cc1F
InChIInChI=1S/C10H8F2N2O/c1-5-7(11)2-6(3-8(5)12)9-4-10(13)14-15-9/h2-4H,1H3,(H2,13,14)
InChIKeyPZPHRYBADONFQG-UHFFFAOYSA-N
XLogP2.51
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3,5-difluoro-4-methylphenyl)-1,2-oxazol-3-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

5-(P-Tolyl)isoxazole
CID 270015
3,5-Bis(4-amidinophenyl)isoxazole
CID 439104
4-(5-Phenyl-1,2-oxazol-3-yl)benzenecarboximidamide
CID 16658982
5-Phenyl-1,2-oxazol-3-amine
CID 3620792
4-(3-Phenyl-1,2-oxazol-5-yl)benzenecarboximidamide
CID 11990396
5-(4-Fluorophenyl)-1,2-oxazol-3-amine
CID 13200424
5-(4-Chlorophenyl)-1,2-oxazol-3-amine
CID 13035539
5-(4-Bromophenyl)isoxazol-3-amine
CID 16218187
3-(4-Fluorophenyl)-5-(4-methylphenyl)-1,2-oxazole
CID 76330649
US11911372, Example 64
CID 149611698
2,6-difluoro-N-(5-phenylisoxazol-3-yl)benzenesulfonamide
CID 153380996
3,4-difluoro-N-(5-phenylisoxazol-3-yl)benzenesulfonamide
CID 153381012

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluoro-4-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3,5-difluoro-4-methylphenyl)-1,2-oxazol-3-amine (CID 117299812) is 5-(3,5-difluoro-4-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3,5-difluoro-4-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3,5-difluoro-4-methylphenyl)-1,2-oxazol-3-amine is Cc1c(F)cc(-c2cc(N)no2)cc1F.
What is the InChIKey of 5-(3,5-difluoro-4-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is PZPHRYBADONFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c1-5-7(11)2-6(3-8(5)12)9-4-10(13)14-15-9/h2-4H,1H3,(H2,13,14).
What are the key properties of 5-(3,5-difluoro-4-methylphenyl)-1,2-oxazol-3-amine?
5-(3,5-difluoro-4-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 210.18 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluoro-4-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117299812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).