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

C15H20INO — CID 135075380

IUPAC2-[2-(2-iodophenyl)-2-methylpropyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(CC(C)(C)c2ccccc2I)=N1
InChIInChI=1S/C15H20INO/c1-14(2,11-7-5-6-8-12(11)16)9-13-17-15(3,4)10-18-13/h5-8H,9-10H2,1-4H3
InChIKeyNMZREVHZELZXFE-UHFFFAOYSA-N
MW357.24 g/mol
LogP4.17
Rot. Bonds3

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

2-[2-(2-iodophenyl)-2-methylpropyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 135075380) has the molecular formula C15H20INO and a molecular weight of 357.24 g/mol. Its IUPAC name is 2-[2-(2-iodophenyl)-2-methylpropyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(2-iodophenyl)-2-methylpropyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID135075380
Molecular FormulaC15H20INO
Molecular Weight357.24 g/mol
Exact Mass357.06
IUPAC Name2-[2-(2-iodophenyl)-2-methylpropyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(CC(C)(C)c2ccccc2I)=N1
InChIInChI=1S/C15H20INO/c1-14(2,11-7-5-6-8-12(11)16)9-13-17-15(3,4)10-18-13/h5-8H,9-10H2,1-4H3
InChIKeyNMZREVHZELZXFE-UHFFFAOYSA-N
XLogP4.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
4,4-dimethyl-2-(1-methyl-4H-naphthalen-1-yl)-5H-oxazole
CID 455267
4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
(4S)-4-tert-butyl-2-[1-(2-iodophenyl)-1-phenylethyl]-4,5-dihydro-1,3-oxazole
CID 11750846
4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole
CID 86092669
(4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 12025113
(S)-4-Isopropyl-2-phenethyl-4,5-dihydrooxazole
CID 13435839
(4S)-4-tert-butyl-2-(1,1-diphenylethyl)-4,5-dihydro-1,3-oxazole
CID 11426795
4,4-dimethyl-2-(1-phenylcyclopentyl)-5H-1,3-oxazole
CID 11543264
4,4-dimethyl-2-[1-(2-methylphenyl)cyclopentyl]-5H-1,3-oxazole
CID 11586942
4,4-Dimethyl-2-(1-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 71405550
4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole
CID 86092664

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-iodophenyl)-2-methylpropyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2-(2-iodophenyl)-2-methylpropyl]-4,4-dimethyl-5H-1,3-oxazole (CID 135075380) is 2-[2-(2-iodophenyl)-2-methylpropyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[2-(2-iodophenyl)-2-methylpropyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2-(2-iodophenyl)-2-methylpropyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(CC(C)(C)c2ccccc2I)=N1.
What is the InChIKey of 2-[2-(2-iodophenyl)-2-methylpropyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is NMZREVHZELZXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO/c1-14(2,11-7-5-6-8-12(11)16)9-13-17-15(3,4)10-18-13/h5-8H,9-10H2,1-4H3.
What are the key properties of 2-[2-(2-iodophenyl)-2-methylpropyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2-(2-iodophenyl)-2-methylpropyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 357.24 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-iodophenyl)-2-methylpropyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 135075380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).