4-[3-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide

C28H25ClFN3O6 — CID 160580148

IUPAC4-[3-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide
SMILESCOCCC(C(=O)Cc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cocn2)cc1=O
InChIInChI=1S/C28H25ClFN3O6/c1-37-8-7-24(25(34)10-16-3-5-19(28(31)36)22(30)9-16)33-13-26(38-2)21(12-27(33)35)20-11-17(29)4-6-18(20)23-14-39-15-32-23/h3-6,9,11-15,24H,7-8,10H2,1-2H3,(H2,31,36)
InChIKeyRBRDWZLICMJASY-UHFFFAOYSA-N
MW553.97 g/mol
LogP4.46
Rot. Bonds11

About 4-[3-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide

4-[3-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide (PubChem CID 160580148) has the molecular formula C28H25ClFN3O6 and a molecular weight of 553.97 g/mol. Its IUPAC name is 4-[3-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[3-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide
PubChem CID160580148
Molecular FormulaC28H25ClFN3O6
Molecular Weight553.97 g/mol
Exact Mass553.14
IUPAC Name4-[3-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide
SMILESCOCCC(C(=O)Cc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cocn2)cc1=O
InChIInChI=1S/C28H25ClFN3O6/c1-37-8-7-24(25(34)10-16-3-5-19(28(31)36)22(30)9-16)33-13-26(38-2)21(12-27(33)35)20-11-17(29)4-6-18(20)23-14-39-15-32-23/h3-6,9,11-15,24H,7-8,10H2,1-2H3,(H2,31,36)
InChIKeyRBRDWZLICMJASY-UHFFFAOYSA-N
XLogP4.46
TPSA126.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.97
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide?
The IUPAC name of 4-[3-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide (CID 160580148) is 4-[3-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide.
What is the SMILES notation for 4-[3-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide?
The canonical SMILES for 4-[3-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide is COCCC(C(=O)Cc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cocn2)cc1=O.
What is the InChIKey of 4-[3-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide?
The InChIKey is RBRDWZLICMJASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClFN3O6/c1-37-8-7-24(25(34)10-16-3-5-19(28(31)36)22(30)9-16)33-13-26(38-2)21(12-27(33)35)20-11-17(29)4-6-18(20)23-14-39-15-32-23/h3-6,9,11-15,24H,7-8,10H2,1-2H3,(H2,31,36).
What are the key properties of 4-[3-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide?
4-[3-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide has a molecular weight of 553.97 g/mol, XLogP of 4.46, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide is sourced from PubChem (CID 160580148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).