4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-thiazole

C28H43IN4O3S — CID 161136255

IUPAC4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-thiazole
SMILESCc1cc(C(C)C)no1.Cc1cc(C(C)C)on1.Cc1cnc(C(C)C)s1.Cc1onc(C(C)C)c1I
InChIInChI=1S/C7H10INO.2C7H11NO.C7H11NS/c1-4(2)7-6(8)5(3)10-9-7;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-8-4-6(3)9-7/h4H,1-3H3;3*4-5H,1-3H3
InChIKeyUMVKZWOGTUGMRX-UHFFFAOYSA-N
MW642.65 g/mol
LogP9.50
Rot. Bonds4

About 4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-thiazole

4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-thiazole (PubChem CID 161136255) has the molecular formula C28H43IN4O3S and a molecular weight of 642.65 g/mol. Its IUPAC name is 4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-thiazole
PubChem CID161136255
Molecular FormulaC28H43IN4O3S
Molecular Weight642.65 g/mol
Exact Mass642.21
IUPAC Name4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-thiazole
SMILESCc1cc(C(C)C)no1.Cc1cc(C(C)C)on1.Cc1cnc(C(C)C)s1.Cc1onc(C(C)C)c1I
InChIInChI=1S/C7H10INO.2C7H11NO.C7H11NS/c1-4(2)7-6(8)5(3)10-9-7;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-8-4-6(3)9-7/h4H,1-3H3;3*4-5H,1-3H3
InChIKeyUMVKZWOGTUGMRX-UHFFFAOYSA-N
XLogP9.50
TPSA90.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.65
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

3-Propan-2-yl-5-[2-[3-[2-(1,3-thiazol-2-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole
CID 137487930
Bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1,3-thiazole
CID 143923976
3,5-Ditert-butyl-1-methylpyrazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole;methane;2,2,6,6-tetramethylheptane-3,5-dione
CID 157527864
Bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole
CID 158504821
2-Ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 158633352
2-Methyl-1-(1,2-oxazol-5-yl)propan-1-one;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 159042422
2,4-Dimethyl-5-(2-methylpropyl)-1,3-thiazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-4-(2-methylpropyl)pyrazole
CID 159120662
2,5-Di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);methane
CID 159178983
5-Tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole
CID 159203613
5-Tert-butyl-1,3-dimethylpyrazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole;propane;2,2,6,6-tetramethylheptane-3,5-dione
CID 160190906
Ethane;methane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)
CID 160612260
5-Ethyl-2-propan-2-yl-1,3-thiazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 161215550

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-thiazole (CID 161136255) is 4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-thiazole is Cc1cc(C(C)C)no1.Cc1cc(C(C)C)on1.Cc1cnc(C(C)C)s1.Cc1onc(C(C)C)c1I.
What is the InChIKey of 4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-thiazole?
The InChIKey is UMVKZWOGTUGMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10INO.2C7H11NO.C7H11NS/c1-4(2)7-6(8)5(3)10-9-7;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-8-4-6(3)9-7/h4H,1-3H3;3*4-5H,1-3H3.
What are the key properties of 4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-thiazole?
4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-thiazole has a molecular weight of 642.65 g/mol, XLogP of 9.50, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 161136255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).