7-fluoro-N-(4-iodo-2-methylphenyl)-1,3-benzoxazol-6-amine

C14H10FIN2O — CID 141024531

IUPAC7-fluoro-N-(4-iodo-2-methylphenyl)-1,3-benzoxazol-6-amine
SMILESCc1cc(I)ccc1Nc1ccc2ncoc2c1F
InChIInChI=1S/C14H10FIN2O/c1-8-6-9(16)2-3-10(8)18-11-4-5-12-14(13(11)15)19-7-17-12/h2-7,18H,1H3
InChIKeyOZKZKFVMJSGMSV-UHFFFAOYSA-N
MW368.15 g/mol
LogP4.62
Rot. Bonds2

About 7-fluoro-N-(4-iodo-2-methylphenyl)-1,3-benzoxazol-6-amine

7-fluoro-N-(4-iodo-2-methylphenyl)-1,3-benzoxazol-6-amine (PubChem CID 141024531) has the molecular formula C14H10FIN2O and a molecular weight of 368.15 g/mol. Its IUPAC name is 7-fluoro-N-(4-iodo-2-methylphenyl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name7-fluoro-N-(4-iodo-2-methylphenyl)-1,3-benzoxazol-6-amine
PubChem CID141024531
Molecular FormulaC14H10FIN2O
Molecular Weight368.15 g/mol
Exact Mass367.98
IUPAC Name7-fluoro-N-(4-iodo-2-methylphenyl)-1,3-benzoxazol-6-amine
SMILESCc1cc(I)ccc1Nc1ccc2ncoc2c1F
InChIInChI=1S/C14H10FIN2O/c1-8-6-9(16)2-3-10(8)18-11-4-5-12-14(13(11)15)19-7-17-12/h2-7,18H,1H3
InChIKeyOZKZKFVMJSGMSV-UHFFFAOYSA-N
XLogP4.62
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.15
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-fluoro-N-(4-iodo-2-methylphenyl)-1,3-benzoxazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[7-fluoro-6-(4-iodo-2-methylanilino)-1,3-benzoxazol-5-yl]methyl formate
CID 174451373
6-bromo-7-fluoro-1,3-benzoxazole
CID 122235305
3,4,6-trifluoro-2-(4-iodo-2-methylanilino)benzoic acid
CID 22226015
2,3-difluoro-N-(4-iodo-2-methylphenyl)-6-(1H-1,2,4-triazol-5-yl)aniline
CID 141030563
1-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]ethanone
CID 23526715
N-(4-iodo-2-methylphenyl)pyrimidin-4-amine
CID 141186074
methyl 7-fluoro-6-(2-methylanilino)-1,3-benzoxazole-5-carboxylate
CID 22180105
5-iodo-3-methyl-N-(2,3,4-trifluorophenyl)pyridin-2-amine
CID 141300072
fluoro-[2-(4-iodo-2-methylanilino)phenyl]methanol
CID 151515953
5-iodo-2-(4-iodo-2-methylanilino)benzamide
CID 142657189
5-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]-3H-1,3,4-thiadiazol-2-one
CID 18614560
4-iodo-2-methyl-N-(4-nitrophenyl)aniline
CID 4763873

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(4-iodo-2-methylphenyl)-1,3-benzoxazol-6-amine?
The IUPAC name of 7-fluoro-N-(4-iodo-2-methylphenyl)-1,3-benzoxazol-6-amine (CID 141024531) is 7-fluoro-N-(4-iodo-2-methylphenyl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 7-fluoro-N-(4-iodo-2-methylphenyl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 7-fluoro-N-(4-iodo-2-methylphenyl)-1,3-benzoxazol-6-amine is Cc1cc(I)ccc1Nc1ccc2ncoc2c1F.
What is the InChIKey of 7-fluoro-N-(4-iodo-2-methylphenyl)-1,3-benzoxazol-6-amine?
The InChIKey is OZKZKFVMJSGMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FIN2O/c1-8-6-9(16)2-3-10(8)18-11-4-5-12-14(13(11)15)19-7-17-12/h2-7,18H,1H3.
What are the key properties of 7-fluoro-N-(4-iodo-2-methylphenyl)-1,3-benzoxazol-6-amine?
7-fluoro-N-(4-iodo-2-methylphenyl)-1,3-benzoxazol-6-amine has a molecular weight of 368.15 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(4-iodo-2-methylphenyl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 141024531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).