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

C27H24ClFN4O6 — CID 135211514

IUPAC4-[[2-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide
SMILESCOCCC(C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cocn2)cc1=O
InChIInChI=1S/C27H24ClFN4O6/c1-37-8-7-23(27(36)32-16-4-6-18(26(30)35)21(29)10-16)33-12-24(38-2)20(11-25(33)34)19-9-15(28)3-5-17(19)22-13-39-14-31-22/h3-6,9-14,23H,7-8H2,1-2H3,(H2,30,35)(H,32,36)
InChIKeyWWYXXZQZSPIQLH-UHFFFAOYSA-N
MW554.96 g/mol
LogP4.29
Rot. Bonds10

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

4-[[2-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide (PubChem CID 135211514) has the molecular formula C27H24ClFN4O6 and a molecular weight of 554.96 g/mol. Its IUPAC name is 4-[[2-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[[2-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide
PubChem CID135211514
Molecular FormulaC27H24ClFN4O6
Molecular Weight554.96 g/mol
Exact Mass554.14
IUPAC Name4-[[2-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide
SMILESCOCCC(C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cocn2)cc1=O
InChIInChI=1S/C27H24ClFN4O6/c1-37-8-7-23(27(36)32-16-4-6-18(26(30)35)21(29)10-16)33-12-24(38-2)20(11-25(33)34)19-9-15(28)3-5-17(19)22-13-39-14-31-22/h3-6,9-14,23H,7-8H2,1-2H3,(H2,30,35)(H,32,36)
InChIKeyWWYXXZQZSPIQLH-UHFFFAOYSA-N
XLogP4.29
TPSA138.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.96
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide?
The IUPAC name of 4-[[2-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide (CID 135211514) is 4-[[2-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide.
What is the SMILES notation for 4-[[2-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide?
The canonical SMILES for 4-[[2-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide is COCCC(C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cocn2)cc1=O.
What is the InChIKey of 4-[[2-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide?
The InChIKey is WWYXXZQZSPIQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN4O6/c1-37-8-7-23(27(36)32-16-4-6-18(26(30)35)21(29)10-16)33-12-24(38-2)20(11-25(33)34)19-9-15(28)3-5-17(19)22-13-39-14-31-22/h3-6,9-14,23H,7-8H2,1-2H3,(H2,30,35)(H,32,36).
What are the key properties of 4-[[2-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide?
4-[[2-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide has a molecular weight of 554.96 g/mol, XLogP of 4.29, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide is sourced from PubChem (CID 135211514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).