4-(2-chloro-6-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine

C14H10ClFN2O2 — CID 43157994

IUPAC4-(2-chloro-6-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine
SMILESCc1occc1-c1noc(N)c1-c1c(F)cccc1Cl
InChIInChI=1S/C14H10ClFN2O2/c1-7-8(5-6-19-7)13-12(14(17)20-18-13)11-9(15)3-2-4-10(11)16/h2-6H,17H2,1H3
InChIKeyRJMVXYMCOHYIMX-UHFFFAOYSA-N
MW292.70 g/mol
LogP4.28
Rot. Bonds2

About 4-(2-chloro-6-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine

4-(2-chloro-6-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine (PubChem CID 43157994) has the molecular formula C14H10ClFN2O2 and a molecular weight of 292.70 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine
PubChem CID43157994
Molecular FormulaC14H10ClFN2O2
Molecular Weight292.70 g/mol
Exact Mass292.04
IUPAC Name4-(2-chloro-6-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine
SMILESCc1occc1-c1noc(N)c1-c1c(F)cccc1Cl
InChIInChI=1S/C14H10ClFN2O2/c1-7-8(5-6-19-7)13-12(14(17)20-18-13)11-9(15)3-2-4-10(11)16/h2-6H,17H2,1H3
InChIKeyRJMVXYMCOHYIMX-UHFFFAOYSA-N
XLogP4.28
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine (CID 43157994) is 4-(2-chloro-6-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine is Cc1occc1-c1noc(N)c1-c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine?
The InChIKey is RJMVXYMCOHYIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2/c1-7-8(5-6-19-7)13-12(14(17)20-18-13)11-9(15)3-2-4-10(11)16/h2-6H,17H2,1H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine?
4-(2-chloro-6-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine has a molecular weight of 292.70 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43157994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).