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

C28H28N4O6 — CID 162759294

IUPAC[4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropyl carbonate
SMILESCOc1ccnc(C(=O)N[C@@H](C)c2noc(-c3cccc(-c4ccccc4)c3)n2)c1OC(=O)OCC(C)C
InChIInChI=1S/C28H28N4O6/c1-17(2)16-36-28(34)37-24-22(35-4)13-14-29-23(24)26(33)30-18(3)25-31-27(38-32-25)21-12-8-11-20(15-21)19-9-6-5-7-10-19/h5-15,17-18H,16H2,1-4H3,(H,30,33)/t18-/m0/s1
InChIKeyMLKNUBLTQJRVEJ-SFHVURJKSA-N
MW516.55 g/mol
LogP5.47
Rot. Bonds9

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

[4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropyl carbonate (PubChem CID 162759294) has the molecular formula C28H28N4O6 and a molecular weight of 516.55 g/mol. Its IUPAC name is [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropyl carbonate.

Molecular Properties

Compound Name[4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropyl carbonate
PubChem CID162759294
Molecular FormulaC28H28N4O6
Molecular Weight516.55 g/mol
Exact Mass516.20
IUPAC Name[4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropyl carbonate
SMILESCOc1ccnc(C(=O)N[C@@H](C)c2noc(-c3cccc(-c4ccccc4)c3)n2)c1OC(=O)OCC(C)C
InChIInChI=1S/C28H28N4O6/c1-17(2)16-36-28(34)37-24-22(35-4)13-14-29-23(24)26(33)30-18(3)25-31-27(38-32-25)21-12-8-11-20(15-21)19-9-6-5-7-10-19/h5-15,17-18H,16H2,1-4H3,(H,30,33)/t18-/m0/s1
InChIKeyMLKNUBLTQJRVEJ-SFHVURJKSA-N
XLogP5.47
TPSA125.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.55
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] carbonate
CID 162759187
[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
[4-methoxy-2-[[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-3-pyridinyl] benzoate
CID 162759136
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-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylbutyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropyl carbonate
CID 162759221
[2-[[(1S)-1-(5-benzhydryl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate
CID 162759122
[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
[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
[2-[[(1S)-1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] propanoate
CID 162759035
N-[(1S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 162759033
N-[(1S)-1-(5-benzhydryl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 162759133

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropyl carbonate?
The IUPAC name of [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropyl carbonate (CID 162759294) is [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropyl carbonate.
What is the SMILES notation for [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropyl carbonate?
The canonical SMILES for [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropyl carbonate is COc1ccnc(C(=O)N[C@@H](C)c2noc(-c3cccc(-c4ccccc4)c3)n2)c1OC(=O)OCC(C)C.
What is the InChIKey of [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropyl carbonate?
The InChIKey is MLKNUBLTQJRVEJ-SFHVURJKSA-N. The full InChI is InChI=1S/C28H28N4O6/c1-17(2)16-36-28(34)37-24-22(35-4)13-14-29-23(24)26(33)30-18(3)25-31-27(38-32-25)21-12-8-11-20(15-21)19-9-6-5-7-10-19/h5-15,17-18H,16H2,1-4H3,(H,30,33)/t18-/m0/s1.
What are the key properties of [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropyl carbonate?
[4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropyl carbonate has a molecular weight of 516.55 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-[[(1S)-1-[5-(3-phenylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropyl carbonate is sourced from PubChem (CID 162759294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).