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

C15H12Cl2N2O2 — CID 43335963

IUPAC4-(2,4-dichlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2ccc(Cl)cc2Cl)c(C)o1
InChIInChI=1S/C15H12Cl2N2O2/c1-7-5-11(8(2)20-7)14-13(15(18)21-19-14)10-4-3-9(16)6-12(10)17/h3-6H,18H2,1-2H3
InChIKeyBNRADZQMHOZLEC-UHFFFAOYSA-N
MW323.18 g/mol
LogP5.11
Rot. Bonds2

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

4-(2,4-dichlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine (PubChem CID 43335963) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine
PubChem CID43335963
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC Name4-(2,4-dichlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2ccc(Cl)cc2Cl)c(C)o1
InChIInChI=1S/C15H12Cl2N2O2/c1-7-5-11(8(2)20-7)14-13(15(18)21-19-14)10-4-3-9(16)6-12(10)17/h3-6H,18H2,1-2H3
InChIKeyBNRADZQMHOZLEC-UHFFFAOYSA-N
XLogP5.11
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.18
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine
CID 43335617
4-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)-1,2-oxazol-5-amine
CID 43335989
4-(2,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine
CID 106753195
4-(2,4-dichlorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine
CID 43335962
3-(2-bromo-4-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine
CID 107988958
3-(2,5-dimethylfuran-3-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
CID 43336035
3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 107988970
4-(2,4-dichlorophenyl)-3-heptan-4-yl-1,2-oxazol-5-amine
CID 82989478
3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335730
4-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 63036543
4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 43335821
3-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 43335969

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine (CID 43335963) is 4-(2,4-dichlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine is Cc1cc(-c2noc(N)c2-c2ccc(Cl)cc2Cl)c(C)o1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine?
The InChIKey is BNRADZQMHOZLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c1-7-5-11(8(2)20-7)14-13(15(18)21-19-14)10-4-3-9(16)6-12(10)17/h3-6H,18H2,1-2H3.
What are the key properties of 4-(2,4-dichlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine?
4-(2,4-dichlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine has a molecular weight of 323.18 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43335963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).