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

C13H8ClIN2OS — CID 79692890

IUPAC4-(2-chlorophenyl)-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2csc(I)c2)c1-c1ccccc1Cl
InChIInChI=1S/C13H8ClIN2OS/c14-9-4-2-1-3-8(9)11-12(17-18-13(11)16)7-5-10(15)19-6-7/h1-6H,16H2
InChIKeyQIMFHZCFEGRQFG-UHFFFAOYSA-N
MW402.64 g/mol
LogP4.91
Rot. Bonds2

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

4-(2-chlorophenyl)-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine (PubChem CID 79692890) has the molecular formula C13H8ClIN2OS and a molecular weight of 402.64 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine
PubChem CID79692890
Molecular FormulaC13H8ClIN2OS
Molecular Weight402.64 g/mol
Exact Mass401.91
IUPAC Name4-(2-chlorophenyl)-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2csc(I)c2)c1-c1ccccc1Cl
InChIInChI=1S/C13H8ClIN2OS/c14-9-4-2-1-3-8(9)11-12(17-18-13(11)16)7-5-10(15)19-6-7/h1-6H,16H2
InChIKeyQIMFHZCFEGRQFG-UHFFFAOYSA-N
XLogP4.91
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.64
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chlorophenyl)-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine (CID 79692890) is 4-(2-chlorophenyl)-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chlorophenyl)-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine is Nc1onc(-c2csc(I)c2)c1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine?
The InChIKey is QIMFHZCFEGRQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClIN2OS/c14-9-4-2-1-3-8(9)11-12(17-18-13(11)16)7-5-10(15)19-6-7/h1-6H,16H2.
What are the key properties of 4-(2-chlorophenyl)-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine?
4-(2-chlorophenyl)-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine has a molecular weight of 402.64 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 79692890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).