4-iodo-7-propan-2-yl-1,2-benzoxazole

C10H10INO — CID 174273326

IUPAC4-iodo-7-propan-2-yl-1,2-benzoxazole
SMILESCC(C)c1ccc(I)c2cnoc12
InChIInChI=1S/C10H10INO/c1-6(2)7-3-4-9(11)8-5-12-13-10(7)8/h3-6H,1-2H3
InChIKeyYOZONHQYLVIWFZ-UHFFFAOYSA-N
MW287.10 g/mol
LogP3.56
Rot. Bonds1

About 4-iodo-7-propan-2-yl-1,2-benzoxazole

4-iodo-7-propan-2-yl-1,2-benzoxazole (PubChem CID 174273326) has the molecular formula C10H10INO and a molecular weight of 287.10 g/mol. Its IUPAC name is 4-iodo-7-propan-2-yl-1,2-benzoxazole.

Molecular Properties

Compound Name4-iodo-7-propan-2-yl-1,2-benzoxazole
PubChem CID174273326
Molecular FormulaC10H10INO
Molecular Weight287.10 g/mol
Exact Mass286.98
IUPAC Name4-iodo-7-propan-2-yl-1,2-benzoxazole
SMILESCC(C)c1ccc(I)c2cnoc12
InChIInChI=1S/C10H10INO/c1-6(2)7-3-4-9(11)8-5-12-13-10(7)8/h3-6H,1-2H3
InChIKeyYOZONHQYLVIWFZ-UHFFFAOYSA-N
XLogP3.56
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 53.56
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

4,5-di(propan-2-yl)-1,2-oxazole;ethane;methane
CID 158361077
1,3-dihydroisoindol-2-yl-(4-hydroxy-7-propan-2-yl-1,2-benzoxazol-5-yl)methanone
CID 137287276
1,4-diiodo-2-propan-2-ylbenzene
CID 71000258
5-iodo-8-propan-2-yl-3,4-dihydro-2H-chromene
CID 146614842
4-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117405284
1,2-diiodo-3-propan-2-ylbenzene
CID 154662791
8-propan-2-yl-[1]benzofuro[2,3-c]pyridine
CID 139383147
4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole
CID 82408859
7-iodo-1-methyl-6-propan-2-ylindazole
CID 118097493
5-propan-2-yl-1,2-oxazol-4-amine
CID 14341208
4-fluoro-5-propan-2-yl-1,2-oxazole
CID 153457637
4-[1-(4-iodonaphthalen-1-yl)ethyl]morpholine
CID 122541325

Frequently Asked Questions

What is the IUPAC name of 4-iodo-7-propan-2-yl-1,2-benzoxazole?
The IUPAC name of 4-iodo-7-propan-2-yl-1,2-benzoxazole (CID 174273326) is 4-iodo-7-propan-2-yl-1,2-benzoxazole.
What is the SMILES notation for 4-iodo-7-propan-2-yl-1,2-benzoxazole?
The canonical SMILES for 4-iodo-7-propan-2-yl-1,2-benzoxazole is CC(C)c1ccc(I)c2cnoc12.
What is the InChIKey of 4-iodo-7-propan-2-yl-1,2-benzoxazole?
The InChIKey is YOZONHQYLVIWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO/c1-6(2)7-3-4-9(11)8-5-12-13-10(7)8/h3-6H,1-2H3.
What are the key properties of 4-iodo-7-propan-2-yl-1,2-benzoxazole?
4-iodo-7-propan-2-yl-1,2-benzoxazole has a molecular weight of 287.10 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-7-propan-2-yl-1,2-benzoxazole is sourced from PubChem (CID 174273326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).