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

C15H13ClN2OS — CID 79976164

IUPAC4-(2-chlorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine
SMILESCCc1ccsc1-c1noc(N)c1-c1ccccc1Cl
InChIInChI=1S/C15H13ClN2OS/c1-2-9-7-8-20-14(9)13-12(15(17)19-18-13)10-5-3-4-6-11(10)16/h3-8H,2,17H2,1H3
InChIKeyZKVMQYBWCLMGAE-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.87
Rot. Bonds3

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

4-(2-chlorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine (PubChem CID 79976164) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine
PubChem CID79976164
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name4-(2-chlorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine
SMILESCCc1ccsc1-c1noc(N)c1-c1ccccc1Cl
InChIInChI=1S/C15H13ClN2OS/c1-2-9-7-8-20-14(9)13-12(15(17)19-18-13)10-5-3-4-6-11(10)16/h3-8H,2,17H2,1H3
InChIKeyZKVMQYBWCLMGAE-UHFFFAOYSA-N
XLogP4.87
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chlorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine (CID 79976164) is 4-(2-chlorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chlorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine is CCc1ccsc1-c1noc(N)c1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine?
The InChIKey is ZKVMQYBWCLMGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-2-9-7-8-20-14(9)13-12(15(17)19-18-13)10-5-3-4-6-11(10)16/h3-8H,2,17H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine?
4-(2-chlorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine has a molecular weight of 304.80 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 79976164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).