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

C14H11FN2O2 — CID 43158142

IUPAC4-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine
SMILESCc1occc1-c1noc(N)c1-c1ccc(F)cc1
InChIInChI=1S/C14H11FN2O2/c1-8-11(6-7-18-8)13-12(14(16)19-17-13)9-2-4-10(15)5-3-9/h2-7H,16H2,1H3
InChIKeyWTVPXOXSQBRZPE-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.63
Rot. Bonds2

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

4-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine (PubChem CID 43158142) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine
PubChem CID43158142
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name4-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine
SMILESCc1occc1-c1noc(N)c1-c1ccc(F)cc1
InChIInChI=1S/C14H11FN2O2/c1-8-11(6-7-18-8)13-12(14(16)19-17-13)9-2-4-10(15)5-3-9/h2-7H,16H2,1H3
InChIKeyWTVPXOXSQBRZPE-UHFFFAOYSA-N
XLogP3.63
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine (CID 43158142) is 4-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine is Cc1occc1-c1noc(N)c1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine?
The InChIKey is WTVPXOXSQBRZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-8-11(6-7-18-8)13-12(14(16)19-17-13)9-2-4-10(15)5-3-9/h2-7H,16H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine?
4-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine has a molecular weight of 258.25 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43158142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).