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

C15H13ClN2O2 — CID 43335617

IUPAC4-(3-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2cccc(Cl)c2)c(C)o1
InChIInChI=1S/C15H13ClN2O2/c1-8-6-12(9(2)19-8)14-13(15(17)20-18-14)10-4-3-5-11(16)7-10/h3-7H,17H2,1-2H3
InChIKeyIMVLCHWFAAFBJK-UHFFFAOYSA-N
MW288.73 g/mol
LogP4.45
Rot. Bonds2

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

4-(3-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine (PubChem CID 43335617) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine
PubChem CID43335617
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name4-(3-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2cccc(Cl)c2)c(C)o1
InChIInChI=1S/C15H13ClN2O2/c1-8-6-12(9(2)19-8)14-13(15(17)20-18-14)10-4-3-5-11(16)7-10/h3-7H,17H2,1-2H3
InChIKeyIMVLCHWFAAFBJK-UHFFFAOYSA-N
XLogP4.45
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethylfuran-3-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
CID 43336035
4-(3-chlorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine
CID 43335614
4-(2,4-dichlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine
CID 43335963
3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 81316062
4-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-amine
CID 63213917
4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43157981
4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine
CID 130439181
3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829610
3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158163
3-(5-bromothiophen-2-yl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 43157978
4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine
CID 43560931
3-(2-bromo-4-chlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
CID 107988941

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine (CID 43335617) is 4-(3-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine is Cc1cc(-c2noc(N)c2-c2cccc(Cl)c2)c(C)o1.
What is the InChIKey of 4-(3-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine?
The InChIKey is IMVLCHWFAAFBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-8-6-12(9(2)19-8)14-13(15(17)20-18-14)10-4-3-5-11(16)7-10/h3-7H,17H2,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine?
4-(3-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine has a molecular weight of 288.73 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43335617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).