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

C13H14ClFN2O — CID 82802668

IUPAC4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
SMILESCC(C)Cc1noc(N)c1-c1cccc(Cl)c1F
InChIInChI=1S/C13H14ClFN2O/c1-7(2)6-10-11(13(16)18-17-10)8-4-3-5-9(14)12(8)15/h3-5,7H,6,16H2,1-2H3
InChIKeyRZGMSKBDDPDLHO-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.91
Rot. Bonds3

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

4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine (PubChem CID 82802668) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
PubChem CID82802668
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
SMILESCC(C)Cc1noc(N)c1-c1cccc(Cl)c1F
InChIInChI=1S/C13H14ClFN2O/c1-7(2)6-10-11(13(16)18-17-10)8-4-3-5-9(14)12(8)15/h3-5,7H,6,16H2,1-2H3
InChIKeyRZGMSKBDDPDLHO-UHFFFAOYSA-N
XLogP3.91
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine (CID 82802668) is 4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine is CC(C)Cc1noc(N)c1-c1cccc(Cl)c1F.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine?
The InChIKey is RZGMSKBDDPDLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-7(2)6-10-11(13(16)18-17-10)8-4-3-5-9(14)12(8)15/h3-5,7H,6,16H2,1-2H3.
What are the key properties of 4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine?
4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine has a molecular weight of 268.72 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 82802668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).