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

C26H24N4O6 — CID 162759187

IUPACethyl [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] carbonate
SMILESCCOC(=O)Oc1c(OC)ccnc1C(=O)N[C@@H](C)c1noc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C26H24N4O6/c1-4-34-26(32)35-22-20(33-3)13-14-27-21(22)24(31)28-16(2)23-29-25(36-30-23)19-12-8-11-18(15-19)17-9-6-5-7-10-17/h5-16H,4H2,1-3H3,(H,28,31)/t16-/m0/s1
InChIKeyLYHMVIPXLAWGJN-INIZCTEOSA-N
MW488.50 g/mol
LogP4.83
Rot. Bonds8

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

ethyl [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] carbonate (PubChem CID 162759187) has the molecular formula C26H24N4O6 and a molecular weight of 488.50 g/mol. Its IUPAC name is ethyl [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] carbonate.

Molecular Properties

Compound Nameethyl [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] carbonate
PubChem CID162759187
Molecular FormulaC26H24N4O6
Molecular Weight488.50 g/mol
Exact Mass488.17
IUPAC Nameethyl [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] carbonate
SMILESCCOC(=O)Oc1c(OC)ccnc1C(=O)N[C@@H](C)c1noc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C26H24N4O6/c1-4-34-26(32)35-22-20(33-3)13-14-27-21(22)24(31)28-16(2)23-29-25(36-30-23)19-12-8-11-18(15-19)17-9-6-5-7-10-17/h5-16H,4H2,1-3H3,(H,28,31)/t16-/m0/s1
InChIKeyLYHMVIPXLAWGJN-INIZCTEOSA-N
XLogP4.83
TPSA125.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[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
[2-[[(1S)-1-(5-benzhydryl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate
CID 162759122
[4-methoxy-2-[[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-3-pyridinyl] benzoate
CID 162759136
[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
[2-[[(1S)-1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] propanoate
CID 162759035
[2-[[(1S)-1-[5-(3,5-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate
CID 162759237
[2-[[(1S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylbutyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropyl carbonate
CID 162759221
[4-methoxy-2-[[(1S)-1-[1-methyl-5-(3-propan-2-ylphenyl)-1,2,4-triazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropyl carbonate
CID 162759322
N-[(1S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 162759033
[2-[[(1S)-1-[3-[bis(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropyl carbonate
CID 162759307

Frequently Asked Questions

What is the IUPAC name of ethyl [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] carbonate?
The IUPAC name of ethyl [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] carbonate (CID 162759187) is ethyl [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] carbonate.
What is the SMILES notation for ethyl [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] carbonate?
The canonical SMILES for ethyl [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] carbonate is CCOC(=O)Oc1c(OC)ccnc1C(=O)N[C@@H](C)c1noc(-c2cccc(-c3ccccc3)c2)n1.
What is the InChIKey of ethyl [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] carbonate?
The InChIKey is LYHMVIPXLAWGJN-INIZCTEOSA-N. The full InChI is InChI=1S/C26H24N4O6/c1-4-34-26(32)35-22-20(33-3)13-14-27-21(22)24(31)28-16(2)23-29-25(36-30-23)19-12-8-11-18(15-19)17-9-6-5-7-10-17/h5-16H,4H2,1-3H3,(H,28,31)/t16-/m0/s1.
What are the key properties of ethyl [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] carbonate?
ethyl [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] carbonate has a molecular weight of 488.50 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] carbonate is sourced from PubChem (CID 162759187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).