4-(iodomethyl)-2-(2-methyl-4-propan-2-ylphenyl)-1,3-oxazole

C14H16INO — CID 69296476

IUPAC4-(iodomethyl)-2-(2-methyl-4-propan-2-ylphenyl)-1,3-oxazole
SMILESCc1cc(C(C)C)ccc1-c1nc(CI)co1
InChIInChI=1S/C14H16INO/c1-9(2)11-4-5-13(10(3)6-11)14-16-12(7-15)8-17-14/h4-6,8-9H,7H2,1-3H3
InChIKeySFACBZDCKAGDFB-UHFFFAOYSA-N
MW341.19 g/mol
LogP4.71
Rot. Bonds3

About 4-(iodomethyl)-2-(2-methyl-4-propan-2-ylphenyl)-1,3-oxazole

4-(iodomethyl)-2-(2-methyl-4-propan-2-ylphenyl)-1,3-oxazole (PubChem CID 69296476) has the molecular formula C14H16INO and a molecular weight of 341.19 g/mol. Its IUPAC name is 4-(iodomethyl)-2-(2-methyl-4-propan-2-ylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(iodomethyl)-2-(2-methyl-4-propan-2-ylphenyl)-1,3-oxazole
PubChem CID69296476
Molecular FormulaC14H16INO
Molecular Weight341.19 g/mol
Exact Mass341.03
IUPAC Name4-(iodomethyl)-2-(2-methyl-4-propan-2-ylphenyl)-1,3-oxazole
SMILESCc1cc(C(C)C)ccc1-c1nc(CI)co1
InChIInChI=1S/C14H16INO/c1-9(2)11-4-5-13(10(3)6-11)14-16-12(7-15)8-17-14/h4-6,8-9H,7H2,1-3H3
InChIKeySFACBZDCKAGDFB-UHFFFAOYSA-N
XLogP4.71
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(iodomethyl)-2-(2-methyl-4-propan-2-ylphenyl)-1,3-oxazole?
The IUPAC name of 4-(iodomethyl)-2-(2-methyl-4-propan-2-ylphenyl)-1,3-oxazole (CID 69296476) is 4-(iodomethyl)-2-(2-methyl-4-propan-2-ylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(iodomethyl)-2-(2-methyl-4-propan-2-ylphenyl)-1,3-oxazole?
The canonical SMILES for 4-(iodomethyl)-2-(2-methyl-4-propan-2-ylphenyl)-1,3-oxazole is Cc1cc(C(C)C)ccc1-c1nc(CI)co1.
What is the InChIKey of 4-(iodomethyl)-2-(2-methyl-4-propan-2-ylphenyl)-1,3-oxazole?
The InChIKey is SFACBZDCKAGDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO/c1-9(2)11-4-5-13(10(3)6-11)14-16-12(7-15)8-17-14/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 4-(iodomethyl)-2-(2-methyl-4-propan-2-ylphenyl)-1,3-oxazole?
4-(iodomethyl)-2-(2-methyl-4-propan-2-ylphenyl)-1,3-oxazole has a molecular weight of 341.19 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodomethyl)-2-(2-methyl-4-propan-2-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 69296476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).