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

C10H10INO2 — CID 79787557

IUPAC5-iodo-3-propyl-1,3-benzoxazol-2-one
SMILESCCCn1c(=O)oc2ccc(I)cc21
InChIInChI=1S/C10H10INO2/c1-2-5-12-8-6-7(11)3-4-9(8)14-10(12)13/h3-4,6H,2,5H2,1H3
InChIKeyHXVOGQWDDHSBHV-UHFFFAOYSA-N
MW303.10 g/mol
LogP2.61
Rot. Bonds2

About 5-iodo-3-propyl-1,3-benzoxazol-2-one

5-iodo-3-propyl-1,3-benzoxazol-2-one (PubChem CID 79787557) has the molecular formula C10H10INO2 and a molecular weight of 303.10 g/mol. Its IUPAC name is 5-iodo-3-propyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-iodo-3-propyl-1,3-benzoxazol-2-one
PubChem CID79787557
Molecular FormulaC10H10INO2
Molecular Weight303.10 g/mol
Exact Mass302.98
IUPAC Name5-iodo-3-propyl-1,3-benzoxazol-2-one
SMILESCCCn1c(=O)oc2ccc(I)cc21
InChIInChI=1S/C10H10INO2/c1-2-5-12-8-6-7(11)3-4-9(8)14-10(12)13/h3-4,6H,2,5H2,1H3
InChIKeyHXVOGQWDDHSBHV-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

6-iodo-3-propyl-1,3-benzoxazol-2-one
CID 79787233
3-(2-butoxyethyl)-5-iodo-1,3-benzoxazol-2-one
CID 79788147
5-iodo-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-benzoxazol-2-one
CID 112592613
5-(2-aminoethyl)-3-propyl-1,3-benzoxazol-2-one
CID 28916712
5-iodo-3-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazol-2-one
CID 103019428
5-iodo-3-[(2,4,6-trimethylphenyl)methyl]-1,3-benzoxazol-2-one
CID 79783346
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-aminoethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62300066
6-[(1S)-1-aminopropyl]-3-propyl-1,3-benzoxazol-2-one
CID 82758221
3-ethyl-5-propyl-1,3-benzoxazol-2-one
CID 70297213
5-amino-3-(2-propylsulfonylethyl)-1,3-benzoxazol-2-one
CID 106724662

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-propyl-1,3-benzoxazol-2-one?
The IUPAC name of 5-iodo-3-propyl-1,3-benzoxazol-2-one (CID 79787557) is 5-iodo-3-propyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-iodo-3-propyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-iodo-3-propyl-1,3-benzoxazol-2-one is CCCn1c(=O)oc2ccc(I)cc21.
What is the InChIKey of 5-iodo-3-propyl-1,3-benzoxazol-2-one?
The InChIKey is HXVOGQWDDHSBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO2/c1-2-5-12-8-6-7(11)3-4-9(8)14-10(12)13/h3-4,6H,2,5H2,1H3.
What are the key properties of 5-iodo-3-propyl-1,3-benzoxazol-2-one?
5-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 5-iodo-3-propyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 79787557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).