4-iodo-3-(2-methoxyphenyl)-1,2-oxazole

C10H8INO2 — CID 53254672

IUPAC4-iodo-3-(2-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccccc1-c1nocc1I
InChIInChI=1S/C10H8INO2/c1-13-9-5-3-2-4-7(9)10-8(11)6-14-12-10/h2-6H,1H3
InChIKeyRDZNLLUZEIPAQU-UHFFFAOYSA-N
MW301.08 g/mol
LogP2.95
Rot. Bonds2

About 4-iodo-3-(2-methoxyphenyl)-1,2-oxazole

4-iodo-3-(2-methoxyphenyl)-1,2-oxazole (PubChem CID 53254672) has the molecular formula C10H8INO2 and a molecular weight of 301.08 g/mol. Its IUPAC name is 4-iodo-3-(2-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-iodo-3-(2-methoxyphenyl)-1,2-oxazole
PubChem CID53254672
Molecular FormulaC10H8INO2
Molecular Weight301.08 g/mol
Exact Mass300.96
IUPAC Name4-iodo-3-(2-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccccc1-c1nocc1I
InChIInChI=1S/C10H8INO2/c1-13-9-5-3-2-4-7(9)10-8(11)6-14-12-10/h2-6H,1H3
InChIKeyRDZNLLUZEIPAQU-UHFFFAOYSA-N
XLogP2.95
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.08
LogP ≤ 52.95
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

2-(2-iodophenyl)-1,4-dimethoxy-3-(2-methoxyphenyl)benzene
CID 175345189
[3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82389813
[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 10932935
4-chloro-3-iodo-2-(2-methoxyphenyl)quinoline
CID 139213783
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 15764367
1-iodo-2,3,5,6-tetrakis(2-methoxyphenyl)-4-methylbenzene
CID 145152049
3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde
CID 132514539
2-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]acetic acid
CID 82389837
3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7446909
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62594321
3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine
CID 43336010

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-(2-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 4-iodo-3-(2-methoxyphenyl)-1,2-oxazole (CID 53254672) is 4-iodo-3-(2-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 4-iodo-3-(2-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 4-iodo-3-(2-methoxyphenyl)-1,2-oxazole is COc1ccccc1-c1nocc1I.
What is the InChIKey of 4-iodo-3-(2-methoxyphenyl)-1,2-oxazole?
The InChIKey is RDZNLLUZEIPAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INO2/c1-13-9-5-3-2-4-7(9)10-8(11)6-14-12-10/h2-6H,1H3.
What are the key properties of 4-iodo-3-(2-methoxyphenyl)-1,2-oxazole?
4-iodo-3-(2-methoxyphenyl)-1,2-oxazole has a molecular weight of 301.08 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3-(2-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 53254672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).