3-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide

C16H11IN2O2 — CID 60810765

IUPAC3-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cnco2)cc1)c1cccc(I)c1
InChIInChI=1S/C16H11IN2O2/c17-13-3-1-2-12(8-13)16(20)19-14-6-4-11(5-7-14)15-9-18-10-21-15/h1-10H,(H,19,20)
InChIKeyAUWMHRRZFQNQBW-UHFFFAOYSA-N
MW390.18 g/mol
LogP4.20
Rot. Bonds3

About 3-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide

3-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide (PubChem CID 60810765) has the molecular formula C16H11IN2O2 and a molecular weight of 390.18 g/mol. Its IUPAC name is 3-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
PubChem CID60810765
Molecular FormulaC16H11IN2O2
Molecular Weight390.18 g/mol
Exact Mass389.99
IUPAC Name3-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cnco2)cc1)c1cccc(I)c1
InChIInChI=1S/C16H11IN2O2/c17-13-3-1-2-12(8-13)16(20)19-14-6-4-11(5-7-14)15-9-18-10-21-15/h1-10H,(H,19,20)
InChIKeyAUWMHRRZFQNQBW-UHFFFAOYSA-N
XLogP4.20
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.18
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide (CID 60810765) is 3-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide is O=C(Nc1ccc(-c2cnco2)cc1)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide?
The InChIKey is AUWMHRRZFQNQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11IN2O2/c17-13-3-1-2-12(8-13)16(20)19-14-6-4-11(5-7-14)15-9-18-10-21-15/h1-10H,(H,19,20).
What are the key properties of 3-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide?
3-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide has a molecular weight of 390.18 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 60810765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).