N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide

C18H11IN2O3 — CID 15999485

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(I)o1
InChIInChI=1S/C18H11IN2O3/c19-16-10-9-15(23-16)17(22)20-12-7-5-11(6-8-12)18-21-13-3-1-2-4-14(13)24-18/h1-10H,(H,20,22)
InChIKeyMVPVGAQRSWPYAT-UHFFFAOYSA-N
MW430.20 g/mol
LogP4.94
Rot. Bonds3

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide (PubChem CID 15999485) has the molecular formula C18H11IN2O3 and a molecular weight of 430.20 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide
PubChem CID15999485
Molecular FormulaC18H11IN2O3
Molecular Weight430.20 g/mol
Exact Mass429.98
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(I)o1
InChIInChI=1S/C18H11IN2O3/c19-16-10-9-15(23-16)17(22)20-12-7-5-11(6-8-12)18-21-13-3-1-2-4-14(13)24-18/h1-10H,(H,20,22)
InChIKeyMVPVGAQRSWPYAT-UHFFFAOYSA-N
XLogP4.94
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.20
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide
CID 46691878
N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 778969
N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide
CID 777186
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1098892
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 4674669
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide
CID 2966077
5-bromo-N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 29127725
N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methylpropanamide
CID 17099655
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 16580992
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 1114221
6-(1,3-benzoxazol-2-yl)-N-[4-[[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]amino]phenyl]pyridine-2-carboxamide
CID 121298749

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide (CID 15999485) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(I)o1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide?
The InChIKey is MVPVGAQRSWPYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11IN2O3/c19-16-10-9-15(23-16)17(22)20-12-7-5-11(6-8-12)18-21-13-3-1-2-4-14(13)24-18/h1-10H,(H,20,22).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide has a molecular weight of 430.20 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide is sourced from PubChem (CID 15999485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).