6-iodo-3-propyl-1,3-benzoxazol-2-one

C10H10INO2 — CID 79787233

IUPAC6-iodo-3-propyl-1,3-benzoxazol-2-one
SMILESCCCn1c(=O)oc2cc(I)ccc21
InChIInChI=1S/C10H10INO2/c1-2-5-12-8-4-3-7(11)6-9(8)14-10(12)13/h3-4,6H,2,5H2,1H3
InChIKeyMPOPVMGUWMCQAB-UHFFFAOYSA-N
MW303.10 g/mol
LogP2.61
Rot. Bonds2

About 6-iodo-3-propyl-1,3-benzoxazol-2-one

6-iodo-3-propyl-1,3-benzoxazol-2-one (PubChem CID 79787233) has the molecular formula C10H10INO2 and a molecular weight of 303.10 g/mol. Its IUPAC name is 6-iodo-3-propyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-iodo-3-propyl-1,3-benzoxazol-2-one
PubChem CID79787233
Molecular FormulaC10H10INO2
Molecular Weight303.10 g/mol
Exact Mass302.98
IUPAC Name6-iodo-3-propyl-1,3-benzoxazol-2-one
SMILESCCCn1c(=O)oc2cc(I)ccc21
InChIInChI=1S/C10H10INO2/c1-2-5-12-8-4-3-7(11)6-9(8)14-10(12)13/h3-4,6H,2,5H2,1H3
InChIKeyMPOPVMGUWMCQAB-UHFFFAOYSA-N
XLogP2.61
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-3-propyl-1,3-benzoxazol-2-one
CID 79787557
6-iodo-3-(2-propylsulfonylethyl)-1,3-benzoxazol-2-one
CID 106735178
3-propyl-6-sulfanyl-1,3-benzoxazol-2-one
CID 62299003
6-(1-chloroethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62300248
6-(1-aminoethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62300066
6-[(1S)-1-aminopropyl]-3-propyl-1,3-benzoxazol-2-one
CID 82758221
6-(1-chloro-2-ethylbutyl)-3-propyl-1,3-benzoxazol-2-one
CID 63444227
3-(2-butoxyethyl)-5-iodo-1,3-benzoxazol-2-one
CID 79788147
6-(1-hydroxy-3,3-dimethylbutyl)-3-propyl-1,3-benzoxazol-2-one
CID 62298658
6-bromo-3-butyl-1,3-benzoxazol-2-one
CID 3121349
6-(2-chloropropanoyl)-3-propyl-1,3-benzoxazol-2-one
CID 62299172
3-[(3,4-dichlorophenyl)methyl]-6-iodo-1,3-benzoxazol-2-one
CID 79787232

Frequently Asked Questions

What is the IUPAC name of 6-iodo-3-propyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-iodo-3-propyl-1,3-benzoxazol-2-one (CID 79787233) is 6-iodo-3-propyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-iodo-3-propyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-iodo-3-propyl-1,3-benzoxazol-2-one is CCCn1c(=O)oc2cc(I)ccc21.
What is the InChIKey of 6-iodo-3-propyl-1,3-benzoxazol-2-one?
The InChIKey is MPOPVMGUWMCQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO2/c1-2-5-12-8-4-3-7(11)6-9(8)14-10(12)13/h3-4,6H,2,5H2,1H3.
What are the key properties of 6-iodo-3-propyl-1,3-benzoxazol-2-one?
6-iodo-3-propyl-1,3-benzoxazol-2-one has a molecular weight of 303.10 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3-propyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 79787233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).