2-(6-amino-3-pyridinyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide

C15H11IN4O2 — CID 3273917

IUPAC2-(6-amino-3-pyridinyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide
SMILESNc1ccc(-c2nc(C(=O)Nc3ccc(I)cc3)co2)cn1
InChIInChI=1S/C15H11IN4O2/c16-10-2-4-11(5-3-10)19-14(21)12-8-22-15(20-12)9-1-6-13(17)18-7-9/h1-8H,(H2,17,18)(H,19,21)
InChIKeyVCVWCOAQMHBDHU-UHFFFAOYSA-N
MW406.18 g/mol
LogP3.18
Rot. Bonds3

About 2-(6-amino-3-pyridinyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide

2-(6-amino-3-pyridinyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 3273917) has the molecular formula C15H11IN4O2 and a molecular weight of 406.18 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(6-amino-3-pyridinyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide
PubChem CID3273917
Molecular FormulaC15H11IN4O2
Molecular Weight406.18 g/mol
Exact Mass405.99
IUPAC Name2-(6-amino-3-pyridinyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide
SMILESNc1ccc(-c2nc(C(=O)Nc3ccc(I)cc3)co2)cn1
InChIInChI=1S/C15H11IN4O2/c16-10-2-4-11(5-3-10)19-14(21)12-8-22-15(20-12)9-1-6-13(17)18-7-9/h1-8H,(H2,17,18)(H,19,21)
InChIKeyVCVWCOAQMHBDHU-UHFFFAOYSA-N
XLogP3.18
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.18
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(6-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide
CID 3861740
2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3857565
N-(6-amino-3-pyridinyl)-4-iodobenzamide
CID 55132398
[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 3857403
2-(1-aminoethyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide
CID 5182510
[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone
CID 3857405
2-(1-amino-2-hydroxypropyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide
CID 3862698
N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552776
2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 84552881
2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3854955
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552922
2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid
CID 88510664

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(6-amino-3-pyridinyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide (CID 3273917) is 2-(6-amino-3-pyridinyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(6-amino-3-pyridinyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(6-amino-3-pyridinyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide is Nc1ccc(-c2nc(C(=O)Nc3ccc(I)cc3)co2)cn1.
What is the InChIKey of 2-(6-amino-3-pyridinyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is VCVWCOAQMHBDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN4O2/c16-10-2-4-11(5-3-10)19-14(21)12-8-22-15(20-12)9-1-6-13(17)18-7-9/h1-8H,(H2,17,18)(H,19,21).
What are the key properties of 2-(6-amino-3-pyridinyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide?
2-(6-amino-3-pyridinyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 406.18 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-pyridinyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3273917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).