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

C13H8Cl2N2O2 — CID 106687987

IUPAC3-(5-chlorofuran-2-yl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Cl)o2)c1-c1ccccc1Cl
InChIInChI=1S/C13H8Cl2N2O2/c14-8-4-2-1-3-7(8)11-12(17-19-13(11)16)9-5-6-10(15)18-9/h1-6H,16H2
InChIKeySJLZJQJDVVKZBR-UHFFFAOYSA-N
MW295.12 g/mol
LogP4.49
Rot. Bonds2

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

3-(5-chlorofuran-2-yl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine (PubChem CID 106687987) has the molecular formula C13H8Cl2N2O2 and a molecular weight of 295.12 g/mol. Its IUPAC name is 3-(5-chlorofuran-2-yl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chlorofuran-2-yl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine
PubChem CID106687987
Molecular FormulaC13H8Cl2N2O2
Molecular Weight295.12 g/mol
Exact Mass294.00
IUPAC Name3-(5-chlorofuran-2-yl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Cl)o2)c1-c1ccccc1Cl
InChIInChI=1S/C13H8Cl2N2O2/c14-8-4-2-1-3-7(8)11-12(17-19-13(11)16)9-5-6-10(15)18-9/h1-6H,16H2
InChIKeySJLZJQJDVVKZBR-UHFFFAOYSA-N
XLogP4.49
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 62276503
4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine
CID 106687975
3-(2-bromo-4-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine
CID 107988958
3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 106687953
3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335610
4-(2-chlorophenyl)-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine
CID 79692890
4-bromo-3-(2-chlorophenyl)-1,2-oxazol-5-amine
CID 83913780
4-(2-chlorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine
CID 79976164
4-(2-chlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine
CID 81122851
3-(2,3-dichlorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335737
3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 43335681
4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine
CID 43335560

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorofuran-2-yl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chlorofuran-2-yl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine (CID 106687987) is 3-(5-chlorofuran-2-yl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chlorofuran-2-yl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chlorofuran-2-yl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccc(Cl)o2)c1-c1ccccc1Cl.
What is the InChIKey of 3-(5-chlorofuran-2-yl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine?
The InChIKey is SJLZJQJDVVKZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2/c14-8-4-2-1-3-7(8)11-12(17-19-13(11)16)9-5-6-10(15)18-9/h1-6H,16H2.
What are the key properties of 3-(5-chlorofuran-2-yl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine?
3-(5-chlorofuran-2-yl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine has a molecular weight of 295.12 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorofuran-2-yl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 106687987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).