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

C16H13IN2O — CID 66205001

IUPAC5-(4-iodophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccccc1-c1c(N)noc1-c1ccc(I)cc1
InChIInChI=1S/C16H13IN2O/c1-10-4-2-3-5-13(10)14-15(20-19-16(14)18)11-6-8-12(17)9-7-11/h2-9H,1H3,(H2,18,19)
InChIKeyCQKRTZONFLROFO-UHFFFAOYSA-N
MW376.20 g/mol
LogP4.50
Rot. Bonds2

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

5-(4-iodophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66205001) has the molecular formula C16H13IN2O and a molecular weight of 376.20 g/mol. Its IUPAC name is 5-(4-iodophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-iodophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66205001
Molecular FormulaC16H13IN2O
Molecular Weight376.20 g/mol
Exact Mass376.01
IUPAC Name5-(4-iodophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccccc1-c1c(N)noc1-c1ccc(I)cc1
InChIInChI=1S/C16H13IN2O/c1-10-4-2-3-5-13(10)14-15(20-19-16(14)18)11-6-8-12(17)9-7-11/h2-9H,1H3,(H2,18,19)
InChIKeyCQKRTZONFLROFO-UHFFFAOYSA-N
XLogP4.50
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylphenyl)-5-phenyl-1,2-oxazol-3-amine
CID 66204991
4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
CID 66205607
5-(4-iodophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199313
5-(furan-3-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66205205
4-(2-methylphenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66205199
4-(3,4-dimethylphenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66201119
5-(3-chloro-4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 82878281
4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66204374
5-(2-methylfuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66204587
5-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66200765
5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66198096
4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
CID 66201692

Frequently Asked Questions

What is the IUPAC name of 5-(4-iodophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-iodophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine (CID 66205001) is 5-(4-iodophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-iodophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-iodophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine is Cc1ccccc1-c1c(N)noc1-c1ccc(I)cc1.
What is the InChIKey of 5-(4-iodophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is CQKRTZONFLROFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O/c1-10-4-2-3-5-13(10)14-15(20-19-16(14)18)11-6-8-12(17)9-7-11/h2-9H,1H3,(H2,18,19).
What are the key properties of 5-(4-iodophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
5-(4-iodophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 376.20 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-iodophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66205001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).