4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine

C14H10Cl2N2O2S — CID 81122721

IUPAC4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine
SMILESCOc1ccsc1-c1noc(N)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2N2O2S/c1-19-10-4-5-21-13(10)12-11(14(17)20-18-12)7-2-3-8(15)9(16)6-7/h2-6H,17H2,1H3
InChIKeyYHJLDAQCJARCQD-UHFFFAOYSA-N
MW341.22 g/mol
LogP4.97
Rot. Bonds3

About 4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine

4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine (PubChem CID 81122721) has the molecular formula C14H10Cl2N2O2S and a molecular weight of 341.22 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine
PubChem CID81122721
Molecular FormulaC14H10Cl2N2O2S
Molecular Weight341.22 g/mol
Exact Mass339.98
IUPAC Name4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine
SMILESCOc1ccsc1-c1noc(N)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2N2O2S/c1-19-10-4-5-21-13(10)12-11(14(17)20-18-12)7-2-3-8(15)9(16)6-7/h2-6H,17H2,1H3
InChIKeyYHJLDAQCJARCQD-UHFFFAOYSA-N
XLogP4.97
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine (CID 81122721) is 4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine is COc1ccsc1-c1noc(N)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine?
The InChIKey is YHJLDAQCJARCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2S/c1-19-10-4-5-21-13(10)12-11(14(17)20-18-12)7-2-3-8(15)9(16)6-7/h2-6H,17H2,1H3.
What are the key properties of 4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine?
4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine has a molecular weight of 341.22 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 81122721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).