4-iodo-7-methoxy-1,2-benzoxazol-3-amine

C8H7IN2O2 — CID 24808321

IUPAC4-iodo-7-methoxy-1,2-benzoxazol-3-amine
SMILESCOc1ccc(I)c2c(N)noc12
InChIInChI=1S/C8H7IN2O2/c1-12-5-3-2-4(9)6-7(5)13-11-8(6)10/h2-3H,1H3,(H2,10,11)
InChIKeyMUMKVCIBINNZTH-UHFFFAOYSA-N
MW290.06 g/mol
LogP2.02
Rot. Bonds1

About 4-iodo-7-methoxy-1,2-benzoxazol-3-amine

4-iodo-7-methoxy-1,2-benzoxazol-3-amine (PubChem CID 24808321) has the molecular formula C8H7IN2O2 and a molecular weight of 290.06 g/mol. Its IUPAC name is 4-iodo-7-methoxy-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-iodo-7-methoxy-1,2-benzoxazol-3-amine
PubChem CID24808321
Molecular FormulaC8H7IN2O2
Molecular Weight290.06 g/mol
Exact Mass289.96
IUPAC Name4-iodo-7-methoxy-1,2-benzoxazol-3-amine
SMILESCOc1ccc(I)c2c(N)noc12
InChIInChI=1S/C8H7IN2O2/c1-12-5-3-2-4(9)6-7(5)13-11-8(6)10/h2-3H,1H3,(H2,10,11)
InChIKeyMUMKVCIBINNZTH-UHFFFAOYSA-N
XLogP2.02
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.06
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-7-methoxy-1,2-benzoxazol-3-amine?
The IUPAC name of 4-iodo-7-methoxy-1,2-benzoxazol-3-amine (CID 24808321) is 4-iodo-7-methoxy-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-iodo-7-methoxy-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-iodo-7-methoxy-1,2-benzoxazol-3-amine is COc1ccc(I)c2c(N)noc12.
What is the InChIKey of 4-iodo-7-methoxy-1,2-benzoxazol-3-amine?
The InChIKey is MUMKVCIBINNZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2O2/c1-12-5-3-2-4(9)6-7(5)13-11-8(6)10/h2-3H,1H3,(H2,10,11).
What are the key properties of 4-iodo-7-methoxy-1,2-benzoxazol-3-amine?
4-iodo-7-methoxy-1,2-benzoxazol-3-amine has a molecular weight of 290.06 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-7-methoxy-1,2-benzoxazol-3-amine is sourced from PubChem (CID 24808321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).