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

C16H15FN2O2 — CID 65153153

IUPAC4-(3-fluorophenyl)-3-(2,4,5-trimethylfuran-3-yl)-1,2-oxazol-5-amine
SMILESCc1oc(C)c(-c2noc(N)c2-c2cccc(F)c2)c1C
InChIInChI=1S/C16H15FN2O2/c1-8-9(2)20-10(3)13(8)15-14(16(18)21-19-15)11-5-4-6-12(17)7-11/h4-7H,18H2,1-3H3
InChIKeySALRVQUYCPPHLL-UHFFFAOYSA-N
MW286.31 g/mol
LogP4.25
Rot. Bonds2

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

4-(3-fluorophenyl)-3-(2,4,5-trimethylfuran-3-yl)-1,2-oxazol-5-amine (PubChem CID 65153153) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-(2,4,5-trimethylfuran-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-(2,4,5-trimethylfuran-3-yl)-1,2-oxazol-5-amine
PubChem CID65153153
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name4-(3-fluorophenyl)-3-(2,4,5-trimethylfuran-3-yl)-1,2-oxazol-5-amine
SMILESCc1oc(C)c(-c2noc(N)c2-c2cccc(F)c2)c1C
InChIInChI=1S/C16H15FN2O2/c1-8-9(2)20-10(3)13(8)15-14(16(18)21-19-15)11-5-4-6-12(17)7-11/h4-7H,18H2,1-3H3
InChIKeySALRVQUYCPPHLL-UHFFFAOYSA-N
XLogP4.25
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-(2,4,5-trimethylfuran-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-fluorophenyl)-3-(2,4,5-trimethylfuran-3-yl)-1,2-oxazol-5-amine (CID 65153153) is 4-(3-fluorophenyl)-3-(2,4,5-trimethylfuran-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-3-(2,4,5-trimethylfuran-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-fluorophenyl)-3-(2,4,5-trimethylfuran-3-yl)-1,2-oxazol-5-amine is Cc1oc(C)c(-c2noc(N)c2-c2cccc(F)c2)c1C.
What is the InChIKey of 4-(3-fluorophenyl)-3-(2,4,5-trimethylfuran-3-yl)-1,2-oxazol-5-amine?
The InChIKey is SALRVQUYCPPHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-8-9(2)20-10(3)13(8)15-14(16(18)21-19-15)11-5-4-6-12(17)7-11/h4-7H,18H2,1-3H3.
What are the key properties of 4-(3-fluorophenyl)-3-(2,4,5-trimethylfuran-3-yl)-1,2-oxazol-5-amine?
4-(3-fluorophenyl)-3-(2,4,5-trimethylfuran-3-yl)-1,2-oxazol-5-amine has a molecular weight of 286.31 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-(2,4,5-trimethylfuran-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 65153153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).