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

C17H18N2O2 — CID 66202854

IUPAC5-(2,5-dimethylfuran-3-yl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine
SMILESCc1cc(-c2onc(N)c2-c2ccc(C)c(C)c2)c(C)o1
InChIInChI=1S/C17H18N2O2/c1-9-5-6-13(7-10(9)2)15-16(21-19-17(15)18)14-8-11(3)20-12(14)4/h5-8H,1-4H3,(H2,18,19)
InChIKeyRQMSZFMVSPCANA-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.42
Rot. Bonds2

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

5-(2,5-dimethylfuran-3-yl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine (PubChem CID 66202854) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-(2,5-dimethylfuran-3-yl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,5-dimethylfuran-3-yl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine
PubChem CID66202854
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name5-(2,5-dimethylfuran-3-yl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine
SMILESCc1cc(-c2onc(N)c2-c2ccc(C)c(C)c2)c(C)o1
InChIInChI=1S/C17H18N2O2/c1-9-5-6-13(7-10(9)2)15-16(21-19-17(15)18)14-8-11(3)20-12(14)4/h5-8H,1-4H3,(H2,18,19)
InChIKeyRQMSZFMVSPCANA-UHFFFAOYSA-N
XLogP4.42
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylphenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66201119
4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66201499
5-(2,5-dimethylfuran-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524208
4-(3,4-dimethylphenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine
CID 66201310
5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199576
4-chloro-5-(2,5-dimethylfuran-3-yl)-1,2-oxazol-3-amine
CID 79555940
4-(3,4-dimethylphenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine
CID 104786790
4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66198425
5-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66200765
4-(3,4-dimethylphenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine
CID 66201314
4-(3,4-dichlorophenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66200018
5-(2,5-dimethylfuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66198057

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylfuran-3-yl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,5-dimethylfuran-3-yl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine (CID 66202854) is 5-(2,5-dimethylfuran-3-yl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,5-dimethylfuran-3-yl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,5-dimethylfuran-3-yl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine is Cc1cc(-c2onc(N)c2-c2ccc(C)c(C)c2)c(C)o1.
What is the InChIKey of 5-(2,5-dimethylfuran-3-yl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine?
The InChIKey is RQMSZFMVSPCANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-9-5-6-13(7-10(9)2)15-16(21-19-17(15)18)14-8-11(3)20-12(14)4/h5-8H,1-4H3,(H2,18,19).
What are the key properties of 5-(2,5-dimethylfuran-3-yl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine?
5-(2,5-dimethylfuran-3-yl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine has a molecular weight of 282.34 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylfuran-3-yl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66202854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).