3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-iodophenyl)methyl]pyridin-2-one

C17H16IN3O2 — CID 90234954

IUPAC3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-iodophenyl)methyl]pyridin-2-one
SMILESCc1noc(C)c1-c1cc(N)c(=O)n(Cc2ccc(I)cc2)c1
InChIInChI=1S/C17H16IN3O2/c1-10-16(11(2)23-20-10)13-7-15(19)17(22)21(9-13)8-12-3-5-14(18)6-4-12/h3-7,9H,8,19H2,1-2H3
InChIKeyFNQUHXSBTXVLMG-UHFFFAOYSA-N
MW421.24 g/mol
LogP3.36
Rot. Bonds3

About 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-iodophenyl)methyl]pyridin-2-one

3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-iodophenyl)methyl]pyridin-2-one (PubChem CID 90234954) has the molecular formula C17H16IN3O2 and a molecular weight of 421.24 g/mol. Its IUPAC name is 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-iodophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-iodophenyl)methyl]pyridin-2-one
PubChem CID90234954
Molecular FormulaC17H16IN3O2
Molecular Weight421.24 g/mol
Exact Mass421.03
IUPAC Name3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-iodophenyl)methyl]pyridin-2-one
SMILESCc1noc(C)c1-c1cc(N)c(=O)n(Cc2ccc(I)cc2)c1
InChIInChI=1S/C17H16IN3O2/c1-10-16(11(2)23-20-10)13-7-15(19)17(22)21(9-13)8-12-3-5-14(18)6-4-12/h3-7,9H,8,19H2,1-2H3
InChIKeyFNQUHXSBTXVLMG-UHFFFAOYSA-N
XLogP3.36
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.24
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-iodophenyl)methyl]pyridin-2-one?
The IUPAC name of 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-iodophenyl)methyl]pyridin-2-one (CID 90234954) is 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-iodophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-iodophenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-iodophenyl)methyl]pyridin-2-one is Cc1noc(C)c1-c1cc(N)c(=O)n(Cc2ccc(I)cc2)c1.
What is the InChIKey of 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-iodophenyl)methyl]pyridin-2-one?
The InChIKey is FNQUHXSBTXVLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16IN3O2/c1-10-16(11(2)23-20-10)13-7-15(19)17(22)21(9-13)8-12-3-5-14(18)6-4-12/h3-7,9H,8,19H2,1-2H3.
What are the key properties of 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-iodophenyl)methyl]pyridin-2-one?
3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-iodophenyl)methyl]pyridin-2-one has a molecular weight of 421.24 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-iodophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 90234954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).