1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methoxy]carbonimidoyl]pyridin-2-one

C23H15Cl2F2N3O3 — CID 87740436

IUPAC1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methoxy]carbonimidoyl]pyridin-2-one
SMILESCc1cc(CO/N=C(/c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2)c2ccc(F)cc2F)no1
InChIInChI=1S/C23H15Cl2F2N3O3/c1-13-9-16(28-33-13)12-32-29-22(17-7-6-15(26)10-20(17)27)14-5-8-21(31)30(11-14)23-18(24)3-2-4-19(23)25/h2-11H,12H2,1H3/b29-22-
InChIKeyUXVZCXODEJWUMR-IADYIPOJSA-N
MW490.29 g/mol
LogP5.69
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methoxy]carbonimidoyl]pyridin-2-one

1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methoxy]carbonimidoyl]pyridin-2-one (PubChem CID 87740436) has the molecular formula C23H15Cl2F2N3O3 and a molecular weight of 490.29 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methoxy]carbonimidoyl]pyridin-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methoxy]carbonimidoyl]pyridin-2-one
PubChem CID87740436
Molecular FormulaC23H15Cl2F2N3O3
Molecular Weight490.29 g/mol
Exact Mass489.05
IUPAC Name1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methoxy]carbonimidoyl]pyridin-2-one
SMILESCc1cc(CO/N=C(/c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2)c2ccc(F)cc2F)no1
InChIInChI=1S/C23H15Cl2F2N3O3/c1-13-9-16(28-33-13)12-32-29-22(17-7-6-15(26)10-20(17)27)14-5-8-21(31)30(11-14)23-18(24)3-2-4-19(23)25/h2-11H,12H2,1H3/b29-22-
InChIKeyUXVZCXODEJWUMR-IADYIPOJSA-N
XLogP5.69
TPSA69.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.29
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methoxy]carbonimidoyl]pyridin-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methoxy]carbonimidoyl]pyridin-2-one (CID 87740436) is 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methoxy]carbonimidoyl]pyridin-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methoxy]carbonimidoyl]pyridin-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methoxy]carbonimidoyl]pyridin-2-one is Cc1cc(CO/N=C(/c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2)c2ccc(F)cc2F)no1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methoxy]carbonimidoyl]pyridin-2-one?
The InChIKey is UXVZCXODEJWUMR-IADYIPOJSA-N. The full InChI is InChI=1S/C23H15Cl2F2N3O3/c1-13-9-16(28-33-13)12-32-29-22(17-7-6-15(26)10-20(17)27)14-5-8-21(31)30(11-14)23-18(24)3-2-4-19(23)25/h2-11H,12H2,1H3/b29-22-.
What are the key properties of 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methoxy]carbonimidoyl]pyridin-2-one?
1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methoxy]carbonimidoyl]pyridin-2-one has a molecular weight of 490.29 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methoxy]carbonimidoyl]pyridin-2-one is sourced from PubChem (CID 87740436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).