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]-5-methyl-1,3,4-oxadiazole-2-carboxamide

C24H20ClF2N7O5 — CID 57382880

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]-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4nnc(C)o4)COC3)c(F)c2)no1
InChIInChI=1S/C24H20ClF2N7O5/c1-10(29-23(36)24(8-37-9-24)31-21(35)22-33-32-12(3)38-22)19-17(27)4-13(7-28-19)15-5-14(25)6-16(26)18(15)20-30-11(2)39-34-20/h4-7,10H,8-9H2,1-3H3,(H,29,36)(H,31,35)/t10-/m1/s1
InChIKeyGRSLJWFHSQYERQ-SNVBAGLBSA-N
MW559.92 g/mol
LogP3.11
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]-5-methyl-1,3,4-oxadiazole-2-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]-5-methyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 57382880) has the molecular formula C24H20ClF2N7O5 and a molecular weight of 559.92 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]-5-methyl-1,3,4-oxadiazole-2-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]-5-methyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID57382880
Molecular FormulaC24H20ClF2N7O5
Molecular Weight559.92 g/mol
Exact Mass559.12
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]-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4nnc(C)o4)COC3)c(F)c2)no1
InChIInChI=1S/C24H20ClF2N7O5/c1-10(29-23(36)24(8-37-9-24)31-21(35)22-33-32-12(3)38-22)19-17(27)4-13(7-28-19)15-5-14(25)6-16(26)18(15)20-30-11(2)39-34-20/h4-7,10H,8-9H2,1-3H3,(H,29,36)(H,31,35)/t10-/m1/s1
InChIKeyGRSLJWFHSQYERQ-SNVBAGLBSA-N
XLogP3.11
TPSA158.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.92
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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]-5-methyl-1,3,4-oxadiazole-2-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]-5-methyl-1,3,4-oxadiazole-2-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]-5-methyl-1,3,4-oxadiazole-2-carboxamide (CID 57382880) 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]-5-methyl-1,3,4-oxadiazole-2-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]-5-methyl-1,3,4-oxadiazole-2-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]-5-methyl-1,3,4-oxadiazole-2-carboxamide is Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4nnc(C)o4)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]-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is GRSLJWFHSQYERQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C24H20ClF2N7O5/c1-10(29-23(36)24(8-37-9-24)31-21(35)22-33-32-12(3)38-22)19-17(27)4-13(7-28-19)15-5-14(25)6-16(26)18(15)20-30-11(2)39-34-20/h4-7,10H,8-9H2,1-3H3,(H,29,36)(H,31,35)/t10-/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]-5-methyl-1,3,4-oxadiazole-2-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]-5-methyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 559.92 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 10 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]-5-methyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 57382880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).