[4-methoxy-2-[[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-3-pyridinyl] benzoate

C24H20N4O5 — CID 162759136

IUPAC[4-methoxy-2-[[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-3-pyridinyl] benzoate
SMILESCOc1ccnc(C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)c1OC(=O)c1ccccc1
InChIInChI=1S/C24H20N4O5/c1-15(21-27-23(33-28-21)16-9-5-3-6-10-16)26-22(29)19-20(18(31-2)13-14-25-19)32-24(30)17-11-7-4-8-12-17/h3-15H,1-2H3,(H,26,29)/t15-/m0/s1
InChIKeyWZSNQRKHEZPGNR-HNNXBMFYSA-N
MW444.45 g/mol
LogP3.85
Rot. Bonds7

About [4-methoxy-2-[[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-3-pyridinyl] benzoate

[4-methoxy-2-[[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-3-pyridinyl] benzoate (PubChem CID 162759136) has the molecular formula C24H20N4O5 and a molecular weight of 444.45 g/mol. Its IUPAC name is [4-methoxy-2-[[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-3-pyridinyl] benzoate.

Molecular Properties

Compound Name[4-methoxy-2-[[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-3-pyridinyl] benzoate
PubChem CID162759136
Molecular FormulaC24H20N4O5
Molecular Weight444.45 g/mol
Exact Mass444.14
IUPAC Name[4-methoxy-2-[[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-3-pyridinyl] benzoate
SMILESCOc1ccnc(C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)c1OC(=O)c1ccccc1
InChIInChI=1S/C24H20N4O5/c1-15(21-27-23(33-28-21)16-9-5-3-6-10-16)26-22(29)19-20(18(31-2)13-14-25-19)32-24(30)17-11-7-4-8-12-17/h3-15H,1-2H3,(H,26,29)/t15-/m0/s1
InChIKeyWZSNQRKHEZPGNR-HNNXBMFYSA-N
XLogP3.85
TPSA116.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] carbonate
CID 162759187
[2-[[(1S)-1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] propanoate
CID 162759035
[4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropyl carbonate
CID 162759294
ethyl [2-[[(1S)-1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] carbonate
CID 172805572
[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate
CID 162759344
[4-methoxy-2-[[(1S)-1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropyl carbonate
CID 172709477
N-[(1S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 162759033
[2-[[(1S)-1-(5-benzhydryl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate
CID 162759122
N-[(1S)-1-(5-benzhydryl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 162759133
[2-[[(1S)-1-[5-[2,3-bis(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] acetate
CID 162759008
[2-[[(1S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylbutyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropyl carbonate
CID 162759221
[2-[[(1S)-1-[5-[2,3-bis(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 162759319

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-[[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-3-pyridinyl] benzoate?
The IUPAC name of [4-methoxy-2-[[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-3-pyridinyl] benzoate (CID 162759136) is [4-methoxy-2-[[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-3-pyridinyl] benzoate.
What is the SMILES notation for [4-methoxy-2-[[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-3-pyridinyl] benzoate?
The canonical SMILES for [4-methoxy-2-[[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-3-pyridinyl] benzoate is COc1ccnc(C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)c1OC(=O)c1ccccc1.
What is the InChIKey of [4-methoxy-2-[[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-3-pyridinyl] benzoate?
The InChIKey is WZSNQRKHEZPGNR-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H20N4O5/c1-15(21-27-23(33-28-21)16-9-5-3-6-10-16)26-22(29)19-20(18(31-2)13-14-25-19)32-24(30)17-11-7-4-8-12-17/h3-15H,1-2H3,(H,26,29)/t15-/m0/s1.
What are the key properties of [4-methoxy-2-[[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-3-pyridinyl] benzoate?
[4-methoxy-2-[[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-3-pyridinyl] benzoate has a molecular weight of 444.45 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-[[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-3-pyridinyl] benzoate is sourced from PubChem (CID 162759136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).