N-[(3-iodophenyl)carbamoyl]-1,3-benzoxazole-5-carboxamide

C15H10IN3O3 — CID 10179540

IUPACN-[(3-iodophenyl)carbamoyl]-1,3-benzoxazole-5-carboxamide
SMILESO=C(NC(=O)c1ccc2ocnc2c1)Nc1cccc(I)c1
InChIInChI=1S/C15H10IN3O3/c16-10-2-1-3-11(7-10)18-15(21)19-14(20)9-4-5-13-12(6-9)17-8-22-13/h1-8H,(H2,18,19,20,21)
InChIKeyDNHQRAQZVIXAMT-UHFFFAOYSA-N
MW407.17 g/mol
LogP3.39
Rot. Bonds2

About N-[(3-iodophenyl)carbamoyl]-1,3-benzoxazole-5-carboxamide

N-[(3-iodophenyl)carbamoyl]-1,3-benzoxazole-5-carboxamide (PubChem CID 10179540) has the molecular formula C15H10IN3O3 and a molecular weight of 407.17 g/mol. Its IUPAC name is N-[(3-iodophenyl)carbamoyl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-iodophenyl)carbamoyl]-1,3-benzoxazole-5-carboxamide
PubChem CID10179540
Molecular FormulaC15H10IN3O3
Molecular Weight407.17 g/mol
Exact Mass406.98
IUPAC NameN-[(3-iodophenyl)carbamoyl]-1,3-benzoxazole-5-carboxamide
SMILESO=C(NC(=O)c1ccc2ocnc2c1)Nc1cccc(I)c1
InChIInChI=1S/C15H10IN3O3/c16-10-2-1-3-11(7-10)18-15(21)19-14(20)9-4-5-13-12(6-9)17-8-22-13/h1-8H,(H2,18,19,20,21)
InChIKeyDNHQRAQZVIXAMT-UHFFFAOYSA-N
XLogP3.39
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.17
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388202
N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide
CID 108795166
N-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388234
N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388187
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide
CID 108811725
N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide
CID 110388239
N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388195
N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide
CID 110728684
N-tert-butyl-1,3-benzoxazole-5-carboxamide
CID 110388151
N-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide
CID 10272063
N-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide
CID 108795105
3-[(4-carboxybenzoyl)carbamoylamino]benzoic acid
CID 139741227

Frequently Asked Questions

What is the IUPAC name of N-[(3-iodophenyl)carbamoyl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[(3-iodophenyl)carbamoyl]-1,3-benzoxazole-5-carboxamide (CID 10179540) is N-[(3-iodophenyl)carbamoyl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[(3-iodophenyl)carbamoyl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[(3-iodophenyl)carbamoyl]-1,3-benzoxazole-5-carboxamide is O=C(NC(=O)c1ccc2ocnc2c1)Nc1cccc(I)c1.
What is the InChIKey of N-[(3-iodophenyl)carbamoyl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is DNHQRAQZVIXAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10IN3O3/c16-10-2-1-3-11(7-10)18-15(21)19-14(20)9-4-5-13-12(6-9)17-8-22-13/h1-8H,(H2,18,19,20,21).
What are the key properties of N-[(3-iodophenyl)carbamoyl]-1,3-benzoxazole-5-carboxamide?
N-[(3-iodophenyl)carbamoyl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 407.17 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-iodophenyl)carbamoyl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 10179540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).