[2-[[(1S)-1-[5-[2,3-bis(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate

C32H34N4O7 — CID 162759319

IUPAC[2-[[(1S)-1-[5-[2,3-bis(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
SMILESCOc1ccc(C2C(c3ccc(OC)cc3)C2c2nc([C@H](C)NC(=O)c3nccc(OC)c3OC(=O)C(C)C)no2)cc1
InChIInChI=1S/C32H34N4O7/c1-17(2)32(38)42-28-23(41-6)15-16-33-27(28)30(37)34-18(3)29-35-31(43-36-29)26-24(19-7-11-21(39-4)12-8-19)25(26)20-9-13-22(40-5)14-10-20/h7-18,24-26H,1-6H3,(H,34,37)/t18-,24?,25?,26?/m0/s1
InChIKeyAMOMKJRGIKANJY-RSGNCDEHSA-N
MW586.65 g/mol
LogP5.21
Rot. Bonds11

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

[2-[[(1S)-1-[5-[2,3-bis(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate (PubChem CID 162759319) has the molecular formula C32H34N4O7 and a molecular weight of 586.65 g/mol. Its IUPAC name is [2-[[(1S)-1-[5-[2,3-bis(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-[[(1S)-1-[5-[2,3-bis(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
PubChem CID162759319
Molecular FormulaC32H34N4O7
Molecular Weight586.65 g/mol
Exact Mass586.24
IUPAC Name[2-[[(1S)-1-[5-[2,3-bis(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
SMILESCOc1ccc(C2C(c3ccc(OC)cc3)C2c2nc([C@H](C)NC(=O)c3nccc(OC)c3OC(=O)C(C)C)no2)cc1
InChIInChI=1S/C32H34N4O7/c1-17(2)32(38)42-28-23(41-6)15-16-33-27(28)30(37)34-18(3)29-35-31(43-36-29)26-24(19-7-11-21(39-4)12-8-19)25(26)20-9-13-22(40-5)14-10-20/h7-18,24-26H,1-6H3,(H,34,37)/t18-,24?,25?,26?/m0/s1
InChIKeyAMOMKJRGIKANJY-RSGNCDEHSA-N
XLogP5.21
TPSA134.90 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.65
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

[2-[[(1S)-1-[5-[2-(4-fluorophenyl)-3-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 162759128
[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-[2-(4-chlorophenyl)-3-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 162759012
[2-[[(1S)-1-[3-[bis(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 162759137
[2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 162759043
[4-methoxy-2-[[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-3-pyridinyl] benzoate
CID 162759136
[2-[[(1S)-1-(5-benzhydryl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate
CID 162759122
[2-[[(2S)-1-[1,1-bis(4-methoxyphenyl)prop-1-en-2-ylamino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 162758704
[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate
CID 162759344
ethyl [2-[[(1S)-1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] carbonate
CID 172805572
[4-methoxy-2-[[(2S)-1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]-3-pyridinyl] 2-methylpropanoate
CID 162758923
[2-[[(1S)-1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] propanoate
CID 162759035

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-[5-[2,3-bis(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate?
The IUPAC name of [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) is [2-[[(1S)-1-[5-[2,3-bis(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate.
What is the SMILES notation for [2-[[(1S)-1-[5-[2,3-bis(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate?
The canonical SMILES for [2-[[(1S)-1-[5-[2,3-bis(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate is COc1ccc(C2C(c3ccc(OC)cc3)C2c2nc([C@H](C)NC(=O)c3nccc(OC)c3OC(=O)C(C)C)no2)cc1.
What is the InChIKey of [2-[[(1S)-1-[5-[2,3-bis(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate?
The InChIKey is AMOMKJRGIKANJY-RSGNCDEHSA-N. The full InChI is InChI=1S/C32H34N4O7/c1-17(2)32(38)42-28-23(41-6)15-16-33-27(28)30(37)34-18(3)29-35-31(43-36-29)26-24(19-7-11-21(39-4)12-8-19)25(26)20-9-13-22(40-5)14-10-20/h7-18,24-26H,1-6H3,(H,34,37)/t18-,24?,25?,26?/m0/s1.
What are the key properties of [2-[[(1S)-1-[5-[2,3-bis(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate?
[2-[[(1S)-1-[5-[2,3-bis(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate has a molecular weight of 586.65 g/mol, XLogP of 5.21, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-[5-[2,3-bis(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate is sourced from PubChem (CID 162759319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).