3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine

C16H13IN2O2 — CID 43336010

IUPAC3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccccc1-c1c(-c2cccc(I)c2)noc1N
InChIInChI=1S/C16H13IN2O2/c1-20-13-8-3-2-7-12(13)14-15(19-21-16(14)18)10-5-4-6-11(17)9-10/h2-9H,18H2,1H3
InChIKeyIUZNCTIYJGFDHO-UHFFFAOYSA-N
MW392.20 g/mol
LogP4.20
Rot. Bonds3

About 3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine

3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 43336010) has the molecular formula C16H13IN2O2 and a molecular weight of 392.20 g/mol. Its IUPAC name is 3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID43336010
Molecular FormulaC16H13IN2O2
Molecular Weight392.20 g/mol
Exact Mass392.00
IUPAC Name3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccccc1-c1c(-c2cccc(I)c2)noc1N
InChIInChI=1S/C16H13IN2O2/c1-20-13-8-3-2-7-12(13)14-15(19-21-16(14)18)10-5-4-6-11(17)9-10/h2-9H,18H2,1H3
InChIKeyIUZNCTIYJGFDHO-UHFFFAOYSA-N
XLogP4.20
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-iodophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61263311
4-(2-methoxyphenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine
CID 81122324
2-(3-iodophenyl)-1,3-dimethoxybenzene
CID 11302224
4-(3-methoxy-4-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 43336126
4-(2-methoxyphenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 43158239
4-(2-methoxy-5-methylphenyl)-3-thiophen-3-yl-1,2-oxazol-5-amine
CID 43335925
3-(3-methoxyphenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829950
3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 55079639
5-(3-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66199764
3-(2,6-dimethoxyphenyl)-4-methyl-1,2-oxazol-5-amine
CID 43158389
4-(2-chlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine
CID 81122851
3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261442

Frequently Asked Questions

What is the IUPAC name of 3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine (CID 43336010) is 3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine is COc1ccccc1-c1c(-c2cccc(I)c2)noc1N.
What is the InChIKey of 3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is IUZNCTIYJGFDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O2/c1-20-13-8-3-2-7-12(13)14-15(19-21-16(14)18)10-5-4-6-11(17)9-10/h2-9H,18H2,1H3.
What are the key properties of 3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine?
3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 392.20 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43336010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).