2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-iodophenyl]-4,4-dimethyl-5H-1,3-oxazole

C16H19IN2O2 — CID 71149547

IUPAC2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-iodophenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cccc(C3=NC(C)(C)CO3)c2I)=N1
InChIInChI=1S/C16H19IN2O2/c1-15(2)8-20-13(18-15)10-6-5-7-11(12(10)17)14-19-16(3,4)9-21-14/h5-7H,8-9H2,1-4H3
InChIKeyWWNFIJZMFVITJA-UHFFFAOYSA-N
MW398.24 g/mol
LogP3.40
Rot. Bonds2

About 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-iodophenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-iodophenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 71149547) has the molecular formula C16H19IN2O2 and a molecular weight of 398.24 g/mol. Its IUPAC name is 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-iodophenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-iodophenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID71149547
Molecular FormulaC16H19IN2O2
Molecular Weight398.24 g/mol
Exact Mass398.05
IUPAC Name2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-iodophenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cccc(C3=NC(C)(C)CO3)c2I)=N1
InChIInChI=1S/C16H19IN2O2/c1-15(2)8-20-13(18-15)10-6-5-7-11(12(10)17)14-19-16(3,4)9-21-14/h5-7H,8-9H2,1-4H3
InChIKeyWWNFIJZMFVITJA-UHFFFAOYSA-N
XLogP3.40
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.24
LogP ≤ 53.40
H-Bond Donors ≤ 50
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 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-iodophenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-iodophenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 71149547) is 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-iodophenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-iodophenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-iodophenyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2cccc(C3=NC(C)(C)CO3)c2I)=N1.
What is the InChIKey of 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-iodophenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is WWNFIJZMFVITJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN2O2/c1-15(2)8-20-13(18-15)10-6-5-7-11(12(10)17)14-19-16(3,4)9-21-14/h5-7H,8-9H2,1-4H3.
What are the key properties of 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-iodophenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-iodophenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 398.24 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-iodophenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 71149547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).