4-(3-chlorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine

C15H13ClN2O2 — CID 43335623

IUPAC4-(3-chlorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine
SMILESNc1onc(CCc2ccco2)c1-c1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O2/c16-11-4-1-3-10(9-11)14-13(18-20-15(14)17)7-6-12-5-2-8-19-12/h1-5,8-9H,6-7,17H2
InChIKeyCACVINUFNHISLI-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.96
Rot. Bonds4

About 4-(3-chlorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine

4-(3-chlorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine (PubChem CID 43335623) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine
PubChem CID43335623
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name4-(3-chlorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine
SMILESNc1onc(CCc2ccco2)c1-c1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O2/c16-11-4-1-3-10(9-11)14-13(18-20-15(14)17)7-6-12-5-2-8-19-12/h1-5,8-9H,6-7,17H2
InChIKeyCACVINUFNHISLI-UHFFFAOYSA-N
XLogP3.96
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine
CID 130439181
4-(3-chlorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine
CID 43335624
3-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-1,2-oxazol-5-amine
CID 43158243
3-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 43157972
4-(3-chlorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine
CID 43335614
5-[2-(furan-2-yl)ethyl]-4-phenyl-1,2-oxazol-3-amine
CID 66198915
4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43157981
3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 81316062
3-[2-(furan-2-yl)ethyl]-1-methyl-4-(3-methylphenyl)pyrazol-5-amine
CID 62829943
4-(3-chlorophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine
CID 66198300
4-(3-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine
CID 43560872
3-(5-bromothiophen-2-yl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 43157978

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-chlorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine (CID 43335623) is 4-(3-chlorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-chlorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine is Nc1onc(CCc2ccco2)c1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine?
The InChIKey is CACVINUFNHISLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-11-4-1-3-10(9-11)14-13(18-20-15(14)17)7-6-12-5-2-8-19-12/h1-5,8-9H,6-7,17H2.
What are the key properties of 4-(3-chlorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine?
4-(3-chlorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine has a molecular weight of 288.73 g/mol, XLogP of 3.96, 4 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-(furan-2-yl)ethyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 43335623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).