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

C14H15ClN2O3S — CID 104520006

IUPAC4-(3-chlorophenyl)-3-(1,1-dioxothian-2-yl)-1,2-oxazol-5-amine
SMILESNc1onc(C2CCCCS2(=O)=O)c1-c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O3S/c15-10-5-3-4-9(8-10)12-13(17-20-14(12)16)11-6-1-2-7-21(11,18)19/h3-5,8,11H,1-2,6-7,16H2
InChIKeyOZURUPMXKYECTO-UHFFFAOYSA-N
MW326.81 g/mol
LogP3.22
Rot. Bonds2

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

4-(3-chlorophenyl)-3-(1,1-dioxothian-2-yl)-1,2-oxazol-5-amine (PubChem CID 104520006) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-(1,1-dioxothian-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-(1,1-dioxothian-2-yl)-1,2-oxazol-5-amine
PubChem CID104520006
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name4-(3-chlorophenyl)-3-(1,1-dioxothian-2-yl)-1,2-oxazol-5-amine
SMILESNc1onc(C2CCCCS2(=O)=O)c1-c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O3S/c15-10-5-3-4-9(8-10)12-13(17-20-14(12)16)11-6-1-2-7-21(11,18)19/h3-5,8,11H,1-2,6-7,16H2
InChIKeyOZURUPMXKYECTO-UHFFFAOYSA-N
XLogP3.22
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-chlorophenyl)-3-(1,1-dioxothian-2-yl)-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-chlorophenyl)-5-(1,1-dioxothian-2-yl)-1,2-oxazol-3-amine
CID 104522858
4-(3-chlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine
CID 55150697
4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine
CID 130439181
3-(1,1-dioxothian-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 113422169
3-chloro-4-(1,1-dioxothiolan-2-yl)-1,2-oxazol-5-amine
CID 105498371
3-cyclohexyl-4-phenyl-1,2-oxazol-5-amine
CID 43158023
4-(3-bromophenyl)-3-(2,2-dimethylcyclohexyl)-1,2-oxazol-5-amine
CID 107179729
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-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 43157972
3-[5-(1,1-dioxothian-2-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 104520180
3-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 43335969

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-(1,1-dioxothian-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-chlorophenyl)-3-(1,1-dioxothian-2-yl)-1,2-oxazol-5-amine (CID 104520006) is 4-(3-chlorophenyl)-3-(1,1-dioxothian-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-3-(1,1-dioxothian-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-chlorophenyl)-3-(1,1-dioxothian-2-yl)-1,2-oxazol-5-amine is Nc1onc(C2CCCCS2(=O)=O)c1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-3-(1,1-dioxothian-2-yl)-1,2-oxazol-5-amine?
The InChIKey is OZURUPMXKYECTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c15-10-5-3-4-9(8-10)12-13(17-20-14(12)16)11-6-1-2-7-21(11,18)19/h3-5,8,11H,1-2,6-7,16H2.
What are the key properties of 4-(3-chlorophenyl)-3-(1,1-dioxothian-2-yl)-1,2-oxazol-5-amine?
4-(3-chlorophenyl)-3-(1,1-dioxothian-2-yl)-1,2-oxazol-5-amine has a molecular weight of 326.81 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-(1,1-dioxothian-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 104520006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).