[2-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(1,3-oxazol-2-yl)-4-pyridinyl]-[(2R)-2-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

C29H29N7O3S — CID 56967439

IUPAC[2-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(1,3-oxazol-2-yl)-4-pyridinyl]-[(2R)-2-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCCc1csc([C@H]2CCCN2C(=O)c2cc(-c3ncco3)nc(-c3nnc([C@](C)(N)Cc4ccccc4)o3)c2)n1
InChIInChI=1S/C29H29N7O3S/c1-3-20-17-40-26(32-20)23-10-7-12-36(23)27(37)19-14-21(24-31-11-13-38-24)33-22(15-19)25-34-35-28(39-25)29(2,30)16-18-8-5-4-6-9-18/h4-6,8-9,11,13-15,17,23H,3,7,10,12,16,30H2,1-2H3/t23-,29-/m1/s1
InChIKeyLFVZXBFMHKBMDL-RNWIMVQKSA-N
MW555.66 g/mol
LogP5.20
Rot. Bonds8

About [2-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(1,3-oxazol-2-yl)-4-pyridinyl]-[(2R)-2-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

[2-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(1,3-oxazol-2-yl)-4-pyridinyl]-[(2R)-2-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 56967439) has the molecular formula C29H29N7O3S and a molecular weight of 555.66 g/mol. Its IUPAC name is [2-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(1,3-oxazol-2-yl)-4-pyridinyl]-[(2R)-2-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(1,3-oxazol-2-yl)-4-pyridinyl]-[(2R)-2-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID56967439
Molecular FormulaC29H29N7O3S
Molecular Weight555.66 g/mol
Exact Mass555.21
IUPAC Name[2-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(1,3-oxazol-2-yl)-4-pyridinyl]-[(2R)-2-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCCc1csc([C@H]2CCCN2C(=O)c2cc(-c3ncco3)nc(-c3nnc([C@](C)(N)Cc4ccccc4)o3)c2)n1
InChIInChI=1S/C29H29N7O3S/c1-3-20-17-40-26(32-20)23-10-7-12-36(23)27(37)19-14-21(24-31-11-13-38-24)33-22(15-19)25-34-35-28(39-25)29(2,30)16-18-8-5-4-6-9-18/h4-6,8-9,11,13-15,17,23H,3,7,10,12,16,30H2,1-2H3/t23-,29-/m1/s1
InChIKeyLFVZXBFMHKBMDL-RNWIMVQKSA-N
XLogP5.20
TPSA137.06 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.66
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [2-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(1,3-oxazol-2-yl)-4-pyridinyl]-[(2R)-2-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(1,3-oxazol-2-yl)-4-pyridinyl]-[(2R)-2-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(1,3-oxazol-2-yl)-4-pyridinyl]-[(2R)-2-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (CID 56967439) is [2-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(1,3-oxazol-2-yl)-4-pyridinyl]-[(2R)-2-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(1,3-oxazol-2-yl)-4-pyridinyl]-[(2R)-2-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(1,3-oxazol-2-yl)-4-pyridinyl]-[(2R)-2-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is CCc1csc([C@H]2CCCN2C(=O)c2cc(-c3ncco3)nc(-c3nnc([C@](C)(N)Cc4ccccc4)o3)c2)n1.
What is the InChIKey of [2-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(1,3-oxazol-2-yl)-4-pyridinyl]-[(2R)-2-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is LFVZXBFMHKBMDL-RNWIMVQKSA-N. The full InChI is InChI=1S/C29H29N7O3S/c1-3-20-17-40-26(32-20)23-10-7-12-36(23)27(37)19-14-21(24-31-11-13-38-24)33-22(15-19)25-34-35-28(39-25)29(2,30)16-18-8-5-4-6-9-18/h4-6,8-9,11,13-15,17,23H,3,7,10,12,16,30H2,1-2H3/t23-,29-/m1/s1.
What are the key properties of [2-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(1,3-oxazol-2-yl)-4-pyridinyl]-[(2R)-2-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
[2-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(1,3-oxazol-2-yl)-4-pyridinyl]-[(2R)-2-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 555.66 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(1,3-oxazol-2-yl)-4-pyridinyl]-[(2R)-2-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56967439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).