N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-1,2-oxazole-5-carboxamide

C24H19ClF2N6O5 — CID 57382748

IUPACN-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4ccno4)COC3)c(F)c2)no1
InChIInChI=1S/C24H19ClF2N6O5/c1-11(30-23(35)24(9-36-10-24)32-22(34)18-3-4-29-38-18)20-17(27)5-13(8-28-20)15-6-14(25)7-16(26)19(15)21-31-12(2)37-33-21/h3-8,11H,9-10H2,1-2H3,(H,30,35)(H,32,34)/t11-/m1/s1
InChIKeyAOIDNJHTGXZGOW-LLVKDONJSA-N
MW544.90 g/mol
LogP3.40
Rot. Bonds7

About N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-1,2-oxazole-5-carboxamide

N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 57382748) has the molecular formula C24H19ClF2N6O5 and a molecular weight of 544.90 g/mol. Its IUPAC name is N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID57382748
Molecular FormulaC24H19ClF2N6O5
Molecular Weight544.90 g/mol
Exact Mass544.11
IUPAC NameN-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4ccno4)COC3)c(F)c2)no1
InChIInChI=1S/C24H19ClF2N6O5/c1-11(30-23(35)24(9-36-10-24)32-22(34)18-3-4-29-38-18)20-17(27)5-13(8-28-20)15-6-14(25)7-16(26)19(15)21-31-12(2)37-33-21/h3-8,11H,9-10H2,1-2H3,(H,30,35)(H,32,34)/t11-/m1/s1
InChIKeyAOIDNJHTGXZGOW-LLVKDONJSA-N
XLogP3.40
TPSA145.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.90
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-1,2-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-1,2-oxazole-5-carboxamide (CID 57382748) is N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-1,2-oxazole-5-carboxamide is Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4ccno4)COC3)c(F)c2)no1.
What is the InChIKey of N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is AOIDNJHTGXZGOW-LLVKDONJSA-N. The full InChI is InChI=1S/C24H19ClF2N6O5/c1-11(30-23(35)24(9-36-10-24)32-22(34)18-3-4-29-38-18)20-17(27)5-13(8-28-20)15-6-14(25)7-16(26)19(15)21-31-12(2)37-33-21/h3-8,11H,9-10H2,1-2H3,(H,30,35)(H,32,34)/t11-/m1/s1.
What are the key properties of N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-1,2-oxazole-5-carboxamide?
N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 544.90 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 57382748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).