2-(2-chloro-5-iodophenyl)-1,3-benzoxazole-5-carbaldehyde

C14H7ClINO2 — CID 91681455

IUPAC2-(2-chloro-5-iodophenyl)-1,3-benzoxazole-5-carbaldehyde
SMILESO=Cc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1
InChIInChI=1S/C14H7ClINO2/c15-11-3-2-9(16)6-10(11)14-17-12-5-8(7-18)1-4-13(12)19-14/h1-7H
InChIKeyKIEQJVCIFISMIB-UHFFFAOYSA-N
MW383.57 g/mol
LogP4.57
Rot. Bonds2

About 2-(2-chloro-5-iodophenyl)-1,3-benzoxazole-5-carbaldehyde

2-(2-chloro-5-iodophenyl)-1,3-benzoxazole-5-carbaldehyde (PubChem CID 91681455) has the molecular formula C14H7ClINO2 and a molecular weight of 383.57 g/mol. Its IUPAC name is 2-(2-chloro-5-iodophenyl)-1,3-benzoxazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-chloro-5-iodophenyl)-1,3-benzoxazole-5-carbaldehyde
PubChem CID91681455
Molecular FormulaC14H7ClINO2
Molecular Weight383.57 g/mol
Exact Mass382.92
IUPAC Name2-(2-chloro-5-iodophenyl)-1,3-benzoxazole-5-carbaldehyde
SMILESO=Cc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1
InChIInChI=1S/C14H7ClINO2/c15-11-3-2-9(16)6-10(11)14-17-12-5-8(7-18)1-4-13(12)19-14/h1-7H
InChIKeyKIEQJVCIFISMIB-UHFFFAOYSA-N
XLogP4.57
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.57
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol
CID 91681454
5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
CID 95911053
N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-1-[5-(3,4-dichlorophenyl)furan-2-yl]methanimine
CID 171982573
5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole
CID 169336838
N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
CID 23994777
2-pyridin-2-yl-1,3-benzoxazole-5-carbaldehyde
CID 82158867
2-(3,4-dimethylphenyl)-1,3-benzoxazole-5-carbaldehyde
CID 82159693
2-amino-1,3-benzoxazole-5-carbaldehyde
CID 75488501
2-pyridin-3-yl-1,3-benzoxazole-5-carbaldehyde
CID 82158868
2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carbaldehyde
CID 145125429
N-[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide
CID 43914063
N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 43914043

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-iodophenyl)-1,3-benzoxazole-5-carbaldehyde?
The IUPAC name of 2-(2-chloro-5-iodophenyl)-1,3-benzoxazole-5-carbaldehyde (CID 91681455) is 2-(2-chloro-5-iodophenyl)-1,3-benzoxazole-5-carbaldehyde.
What is the SMILES notation for 2-(2-chloro-5-iodophenyl)-1,3-benzoxazole-5-carbaldehyde?
The canonical SMILES for 2-(2-chloro-5-iodophenyl)-1,3-benzoxazole-5-carbaldehyde is O=Cc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1.
What is the InChIKey of 2-(2-chloro-5-iodophenyl)-1,3-benzoxazole-5-carbaldehyde?
The InChIKey is KIEQJVCIFISMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClINO2/c15-11-3-2-9(16)6-10(11)14-17-12-5-8(7-18)1-4-13(12)19-14/h1-7H.
What are the key properties of 2-(2-chloro-5-iodophenyl)-1,3-benzoxazole-5-carbaldehyde?
2-(2-chloro-5-iodophenyl)-1,3-benzoxazole-5-carbaldehyde has a molecular weight of 383.57 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-iodophenyl)-1,3-benzoxazole-5-carbaldehyde is sourced from PubChem (CID 91681455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).