[4-methoxy-2-[[(1S)-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropanoate

C24H28N4O5 — CID 162759175

IUPAC[4-methoxy-2-[[(1S)-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropanoate
SMILESCOc1ccnc(C(=O)N[C@@H](C)c2nnc(-c3ccc(C(C)C)cc3)o2)c1OC(=O)C(C)C
InChIInChI=1S/C24H28N4O5/c1-13(2)16-7-9-17(10-8-16)23-28-27-22(33-23)15(5)26-21(29)19-20(32-24(30)14(3)4)18(31-6)11-12-25-19/h7-15H,1-6H3,(H,26,29)/t15-/m0/s1
InChIKeyVVVFWQVWKOFRFT-HNNXBMFYSA-N
MW452.51 g/mol
LogP4.32
Rot. Bonds8

About [4-methoxy-2-[[(1S)-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropanoate

[4-methoxy-2-[[(1S)-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropanoate (PubChem CID 162759175) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is [4-methoxy-2-[[(1S)-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropanoate.

Molecular Properties

Compound Name[4-methoxy-2-[[(1S)-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropanoate
PubChem CID162759175
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name[4-methoxy-2-[[(1S)-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropanoate
SMILESCOc1ccnc(C(=O)N[C@@H](C)c2nnc(-c3ccc(C(C)C)cc3)o2)c1OC(=O)C(C)C
InChIInChI=1S/C24H28N4O5/c1-13(2)16-7-9-17(10-8-16)23-28-27-22(33-23)15(5)26-21(29)19-20(32-24(30)14(3)4)18(31-6)11-12-25-19/h7-15H,1-6H3,(H,26,29)/t15-/m0/s1
InChIKeyVVVFWQVWKOFRFT-HNNXBMFYSA-N
XLogP4.32
TPSA116.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-methoxy-2-[[(1S)-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropanoate with MolForge

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Related Compounds

[2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 162759043
[2-[[(1S)-1-[3-[bis(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 162759137
[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-[[(2S)-1-[[(2S)-1,1-bis(3,4-dimethoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 162758713
[4-methoxy-2-[[(2S)-1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]-3-pyridinyl] 2-methylpropanoate
CID 162758923
[2-[[(2S)-1-[(2R,3R)-3-(4-fluorophenyl)butan-2-yl]oxy-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 139473028
[2-[[(2S)-1-[[(2R)-1,1-bis(4-fluorophenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 162758794
[4-methoxy-2-[[(1S)-1-[1-methyl-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]ethyl]carbamoyl]-3-pyridinyl] propanoate
CID 162759083
[2-[[(2S)-1-[(2S)-1,1-diphenylpropan-2-yl]oxy-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 121463652
[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate
CID 162759344
[2-[[(2S)-1-[1,1-bis(3-propan-2-ylphenyl)prop-1-en-2-ylamino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 162758675
[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-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropanoate?
The IUPAC name of [4-methoxy-2-[[(1S)-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropanoate (CID 162759175) is [4-methoxy-2-[[(1S)-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropanoate.
What is the SMILES notation for [4-methoxy-2-[[(1S)-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropanoate?
The canonical SMILES for [4-methoxy-2-[[(1S)-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropanoate is COc1ccnc(C(=O)N[C@@H](C)c2nnc(-c3ccc(C(C)C)cc3)o2)c1OC(=O)C(C)C.
What is the InChIKey of [4-methoxy-2-[[(1S)-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropanoate?
The InChIKey is VVVFWQVWKOFRFT-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-13(2)16-7-9-17(10-8-16)23-28-27-22(33-23)15(5)26-21(29)19-20(32-24(30)14(3)4)18(31-6)11-12-25-19/h7-15H,1-6H3,(H,26,29)/t15-/m0/s1.
What are the key properties of [4-methoxy-2-[[(1S)-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropanoate?
[4-methoxy-2-[[(1S)-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropanoate has a molecular weight of 452.51 g/mol, XLogP of 4.32, 8 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-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamoyl]-3-pyridinyl] 2-methylpropanoate is sourced from PubChem (CID 162759175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).