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

C27H24ClFN4O6 — CID 135205451

IUPAC4-[[2-[4-[5-chloro-2-(1,3-oxazol-5-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-c2cnco2)cc1=O
InChIInChI=1S/C27H24ClFN4O6/c1-37-8-7-22(27(36)32-16-4-6-18(26(30)35)21(29)10-16)33-13-24(38-2)20(11-25(33)34)19-9-15(28)3-5-17(19)23-12-31-14-39-23/h3-6,9-14,22H,7-8H2,1-2H3,(H2,30,35)(H,32,36)
InChIKeyIQJRZUBQZPMNPH-UHFFFAOYSA-N
MW554.96 g/mol
LogP4.29
Rot. Bonds10

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

4-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide (PubChem CID 135205451) 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-5-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-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide
PubChem CID135205451
Molecular FormulaC27H24ClFN4O6
Molecular Weight554.96 g/mol
Exact Mass554.14
IUPAC Name4-[[2-[4-[5-chloro-2-(1,3-oxazol-5-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-c2cnco2)cc1=O
InChIInChI=1S/C27H24ClFN4O6/c1-37-8-7-22(27(36)32-16-4-6-18(26(30)35)21(29)10-16)33-13-24(38-2)20(11-25(33)34)19-9-15(28)3-5-17(19)23-12-31-14-39-23/h3-6,9-14,22H,7-8H2,1-2H3,(H2,30,35)(H,32,36)
InChIKeyIQJRZUBQZPMNPH-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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Related Compounds

4-Chloro-N-(4-(5-oxazolyl)phenyl)benzamide
CID 2739168
4-[(4-chlorobenzoyl)amino]-N-[2-[4-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]ethyl]benzamide
CID 44532537
2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]-N-[4-(1,3-oxazol-2-yl)phenyl]butanamide
CID 117622969
US10167280, Example 37
CID 121245865
US10421742, Example 4
CID 135204648
US10421742, Example 238
CID 135205970
US10421742, Example 24
CID 135211514
US10421742, Example 7
CID 135205514
US10421742, Example 6
CID 135204684
US10421742, Example 3
CID 135205676
US10421742, Example 8
CID 135205789
US10421742, Example 1
CID 135205829

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[5-chloro-2-(1,3-oxazol-5-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-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide (CID 135205451) is 4-[[2-[4-[5-chloro-2-(1,3-oxazol-5-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-5-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-5-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-c2cnco2)cc1=O.
What is the InChIKey of 4-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide?
The InChIKey is IQJRZUBQZPMNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN4O6/c1-37-8-7-22(27(36)32-16-4-6-18(26(30)35)21(29)10-16)33-13-24(38-2)20(11-25(33)34)19-9-15(28)3-5-17(19)23-12-31-14-39-23/h3-6,9-14,22H,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-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide?
4-[[2-[4-[5-chloro-2-(1,3-oxazol-5-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-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide is sourced from PubChem (CID 135205451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).