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

C15H12ClFN2OS — CID 79974175

IUPAC4-(2-chloro-4-fluorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine
SMILESCCc1ccsc1-c1noc(N)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C15H12ClFN2OS/c1-2-8-5-6-21-14(8)13-12(15(18)20-19-13)10-4-3-9(17)7-11(10)16/h3-7H,2,18H2,1H3
InChIKeyQZZSUMOKGOCLRC-UHFFFAOYSA-N
MW322.79 g/mol
LogP5.01
Rot. Bonds3

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

4-(2-chloro-4-fluorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine (PubChem CID 79974175) has the molecular formula C15H12ClFN2OS and a molecular weight of 322.79 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine
PubChem CID79974175
Molecular FormulaC15H12ClFN2OS
Molecular Weight322.79 g/mol
Exact Mass322.03
IUPAC Name4-(2-chloro-4-fluorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine
SMILESCCc1ccsc1-c1noc(N)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C15H12ClFN2OS/c1-2-8-5-6-21-14(8)13-12(15(18)20-19-13)10-4-3-9(17)7-11(10)16/h3-7H,2,18H2,1H3
InChIKeyQZZSUMOKGOCLRC-UHFFFAOYSA-N
XLogP5.01
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.79
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine (CID 79974175) is 4-(2-chloro-4-fluorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine is CCc1ccsc1-c1noc(N)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine?
The InChIKey is QZZSUMOKGOCLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2OS/c1-2-8-5-6-21-14(8)13-12(15(18)20-19-13)10-4-3-9(17)7-11(10)16/h3-7H,2,18H2,1H3.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine?
4-(2-chloro-4-fluorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine has a molecular weight of 322.79 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 79974175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).