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

C14H10ClFN2O2 — CID 114821385

IUPAC4-(3-chloro-2-fluorophenyl)-3-(5-methylfuran-3-yl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2cccc(Cl)c2F)co1
InChIInChI=1S/C14H10ClFN2O2/c1-7-5-8(6-19-7)13-11(14(17)20-18-13)9-3-2-4-10(15)12(9)16/h2-6H,17H2,1H3
InChIKeyBSTHSNIZOQFPPI-UHFFFAOYSA-N
MW292.70 g/mol
LogP4.28
Rot. Bonds2

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

4-(3-chloro-2-fluorophenyl)-3-(5-methylfuran-3-yl)-1,2-oxazol-5-amine (PubChem CID 114821385) has the molecular formula C14H10ClFN2O2 and a molecular weight of 292.70 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-3-(5-methylfuran-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-3-(5-methylfuran-3-yl)-1,2-oxazol-5-amine
PubChem CID114821385
Molecular FormulaC14H10ClFN2O2
Molecular Weight292.70 g/mol
Exact Mass292.04
IUPAC Name4-(3-chloro-2-fluorophenyl)-3-(5-methylfuran-3-yl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2cccc(Cl)c2F)co1
InChIInChI=1S/C14H10ClFN2O2/c1-7-5-8(6-19-7)13-11(14(17)20-18-13)9-3-2-4-10(15)12(9)16/h2-6H,17H2,1H3
InChIKeyBSTHSNIZOQFPPI-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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Related Compounds

4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine
CID 82787791
4-(3-chloro-2-fluorophenyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazol-5-amine
CID 82788090
3-(5-methylfuran-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 114821364
4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 82802668
3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335610
3-(3-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 81265627
4-(3-chloro-2-fluorophenyl)-3-(methylsulfonylmethyl)-1,2-oxazol-5-amine
CID 82802899
4-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 62828603
4-(2-chloro-6-fluorophenyl)-3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 43335685
4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43158014
4-(3-chloro-2-fluorophenyl)-3-(1-cyclopropylethyl)-1,2-oxazol-5-amine
CID 83153855
3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62830824

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-3-(5-methylfuran-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-3-(5-methylfuran-3-yl)-1,2-oxazol-5-amine (CID 114821385) is 4-(3-chloro-2-fluorophenyl)-3-(5-methylfuran-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-3-(5-methylfuran-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-3-(5-methylfuran-3-yl)-1,2-oxazol-5-amine is Cc1cc(-c2noc(N)c2-c2cccc(Cl)c2F)co1.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-3-(5-methylfuran-3-yl)-1,2-oxazol-5-amine?
The InChIKey is BSTHSNIZOQFPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2/c1-7-5-8(6-19-7)13-11(14(17)20-18-13)9-3-2-4-10(15)12(9)16/h2-6H,17H2,1H3.
What are the key properties of 4-(3-chloro-2-fluorophenyl)-3-(5-methylfuran-3-yl)-1,2-oxazol-5-amine?
4-(3-chloro-2-fluorophenyl)-3-(5-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-(3-chloro-2-fluorophenyl)-3-(5-methylfuran-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 114821385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).