2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine

C14H11IN2O — CID 91682504

IUPAC2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine
SMILESCNc1ccc2oc(-c3ccc(I)cc3)nc2c1
InChIInChI=1S/C14H11IN2O/c1-16-11-6-7-13-12(8-11)17-14(18-13)9-2-4-10(15)5-3-9/h2-8,16H,1H3
InChIKeyXXMUEIQEQBLWNP-UHFFFAOYSA-N
MW350.16 g/mol
LogP4.14
Rot. Bonds2

About 2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine

2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine (PubChem CID 91682504) has the molecular formula C14H11IN2O and a molecular weight of 350.16 g/mol. Its IUPAC name is 2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine
PubChem CID91682504
Molecular FormulaC14H11IN2O
Molecular Weight350.16 g/mol
Exact Mass349.99
IUPAC Name2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine
SMILESCNc1ccc2oc(-c3ccc(I)cc3)nc2c1
InChIInChI=1S/C14H11IN2O/c1-16-11-6-7-13-12(8-11)17-14(18-13)9-2-4-10(15)5-3-9/h2-8,16H,1H3
InChIKeyXXMUEIQEQBLWNP-UHFFFAOYSA-N
XLogP4.14
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 54.14
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

N-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine
CID 91682505
2,2,2-trichloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 3515866
2-chloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 91683535
2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine
CID 91676646
N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide
CID 1362301
N-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline
CID 25211761
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 15993120
N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide
CID 168653350
3,4,5-triethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23742080
2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 86768124
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
3-(5-bromo-1,3-benzoxazol-2-yl)-N-methylaniline
CID 142897927

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine (CID 91682504) is 2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine is CNc1ccc2oc(-c3ccc(I)cc3)nc2c1.
What is the InChIKey of 2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine?
The InChIKey is XXMUEIQEQBLWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O/c1-16-11-6-7-13-12(8-11)17-14(18-13)9-2-4-10(15)5-3-9/h2-8,16H,1H3.
What are the key properties of 2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine?
2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine has a molecular weight of 350.16 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 91682504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).