3-(2,5-dimethylfuran-3-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine

C15H13FN2O2 — CID 43336035

IUPAC3-(2,5-dimethylfuran-3-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2cccc(F)c2)c(C)o1
InChIInChI=1S/C15H13FN2O2/c1-8-6-12(9(2)19-8)14-13(15(17)20-18-14)10-4-3-5-11(16)7-10/h3-7H,17H2,1-2H3
InChIKeyDFLKLNIZDJVQSV-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.94
Rot. Bonds2

About 3-(2,5-dimethylfuran-3-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine

3-(2,5-dimethylfuran-3-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 43336035) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 3-(2,5-dimethylfuran-3-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,5-dimethylfuran-3-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID43336035
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name3-(2,5-dimethylfuran-3-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2cccc(F)c2)c(C)o1
InChIInChI=1S/C15H13FN2O2/c1-8-6-12(9(2)19-8)14-13(15(17)20-18-14)10-4-3-5-11(16)7-10/h3-7H,17H2,1-2H3
InChIKeyDFLKLNIZDJVQSV-UHFFFAOYSA-N
XLogP3.94
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine
CID 43335617
4-(3-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43336065
4-(3-fluorophenyl)-3-(2,4,5-trimethylfuran-3-yl)-1,2-oxazol-5-amine
CID 65153153
3-(2-bromo-4-chlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
CID 107988941
3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62830128
4-(3-fluorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine
CID 43336038
3-(4-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829957
4-(2,4-dichlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine
CID 43335963
3-(2-methylfuran-3-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62828557
3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335733
4-(3,5-difluorophenyl)-3-phenyl-1,2-oxazol-5-amine
CID 61496302
3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43158039

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylfuran-3-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,5-dimethylfuran-3-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine (CID 43336035) is 3-(2,5-dimethylfuran-3-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,5-dimethylfuran-3-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,5-dimethylfuran-3-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine is Cc1cc(-c2noc(N)c2-c2cccc(F)c2)c(C)o1.
What is the InChIKey of 3-(2,5-dimethylfuran-3-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is DFLKLNIZDJVQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-8-6-12(9(2)19-8)14-13(15(17)20-18-14)10-4-3-5-11(16)7-10/h3-7H,17H2,1-2H3.
What are the key properties of 3-(2,5-dimethylfuran-3-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine?
3-(2,5-dimethylfuran-3-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 272.28 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylfuran-3-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43336035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).