3-iodo-5-methyl-4-propyl-1,2-oxazole

C7H10INO — CID 67762380

IUPAC3-iodo-5-methyl-4-propyl-1,2-oxazole
SMILESCCCc1c(I)noc1C
InChIInChI=1S/C7H10INO/c1-3-4-6-5(2)10-9-7(6)8/h3-4H2,1-2H3
InChIKeyMMGBJKHGIVSMNC-UHFFFAOYSA-N
MW251.07 g/mol
LogP2.54
Rot. Bonds2

About 3-iodo-5-methyl-4-propyl-1,2-oxazole

3-iodo-5-methyl-4-propyl-1,2-oxazole (PubChem CID 67762380) has the molecular formula C7H10INO and a molecular weight of 251.07 g/mol. Its IUPAC name is 3-iodo-5-methyl-4-propyl-1,2-oxazole.

Molecular Properties

Compound Name3-iodo-5-methyl-4-propyl-1,2-oxazole
PubChem CID67762380
Molecular FormulaC7H10INO
Molecular Weight251.07 g/mol
Exact Mass250.98
IUPAC Name3-iodo-5-methyl-4-propyl-1,2-oxazole
SMILESCCCc1c(I)noc1C
InChIInChI=1S/C7H10INO/c1-3-4-6-5(2)10-9-7(6)8/h3-4H2,1-2H3
InChIKeyMMGBJKHGIVSMNC-UHFFFAOYSA-N
XLogP2.54
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 52.54
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

3,4-diethyl-5-methyl-1,2-oxazole
CID 59688885
(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine
CID 66643513
4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole
CID 59539646
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
4-ethyl-3-methoxy-5-methyl-1,2-oxazole
CID 122546056
4-arsoroso-5-methyl-3-propyl-1,2-oxazole
CID 59067329
(3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
CID 2507881
butane;ethane;3,4,5-trimethyl-1,2-oxazole
CID 142187309
2-(3-amino-5-methyl-1,2-oxazol-4-yl)ethanol
CID 129320159
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine
CID 51081840
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethyl-2-propylguanidine
CID 111763431
4-(chloromethyl)-3,5-dimethyl-1,2-oxazole chloride
CID 22500933

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-methyl-4-propyl-1,2-oxazole?
The IUPAC name of 3-iodo-5-methyl-4-propyl-1,2-oxazole (CID 67762380) is 3-iodo-5-methyl-4-propyl-1,2-oxazole.
What is the SMILES notation for 3-iodo-5-methyl-4-propyl-1,2-oxazole?
The canonical SMILES for 3-iodo-5-methyl-4-propyl-1,2-oxazole is CCCc1c(I)noc1C.
What is the InChIKey of 3-iodo-5-methyl-4-propyl-1,2-oxazole?
The InChIKey is MMGBJKHGIVSMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10INO/c1-3-4-6-5(2)10-9-7(6)8/h3-4H2,1-2H3.
What are the key properties of 3-iodo-5-methyl-4-propyl-1,2-oxazole?
3-iodo-5-methyl-4-propyl-1,2-oxazole has a molecular weight of 251.07 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-methyl-4-propyl-1,2-oxazole is sourced from PubChem (CID 67762380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).