4-(3-chlorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine

C16H15ClN2OS — CID 43335624

IUPAC4-(3-chlorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine
SMILESNc1onc(CCCc2cccs2)c1-c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2OS/c17-12-5-1-4-11(10-12)15-14(19-20-16(15)18)8-2-6-13-7-3-9-21-13/h1,3-5,7,9-10H,2,6,8,18H2
InChIKeyHXHMQPJPNOEHEV-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.81
Rot. Bonds5

About 4-(3-chlorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine

4-(3-chlorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine (PubChem CID 43335624) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine
PubChem CID43335624
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name4-(3-chlorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine
SMILESNc1onc(CCCc2cccs2)c1-c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2OS/c17-12-5-1-4-11(10-12)15-14(19-20-16(15)18)8-2-6-13-7-3-9-21-13/h1,3-5,7,9-10H,2,6,8,18H2
InChIKeyHXHMQPJPNOEHEV-UHFFFAOYSA-N
XLogP4.81
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.81
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-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine
CID 43335623
4-ethyl-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine
CID 43670980
4-(2-chlorophenyl)-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine
CID 66205392
3-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 43157972
3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62503085
4-thiophen-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine
CID 66199989
3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 65428658
4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine
CID 66200502
3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 81316062
4-(3-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2-oxazol-3-amine
CID 80642541
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-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-chlorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine (CID 43335624) is 4-(3-chlorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-chlorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine is Nc1onc(CCCc2cccs2)c1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine?
The InChIKey is HXHMQPJPNOEHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c17-12-5-1-4-11(10-12)15-14(19-20-16(15)18)8-2-6-13-7-3-9-21-13/h1,3-5,7,9-10H,2,6,8,18H2.
What are the key properties of 4-(3-chlorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine?
4-(3-chlorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine has a molecular weight of 318.83 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43335624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).