[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-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

C28H27N7O3S — CID 56967438

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-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1csc([C@H]2CCCN2C(=O)c2cc(-c3ncco3)nc(-c3nnc([C@](C)(N)Cc4ccccc4)o3)c2)n1
InChIInChI=1S/C28H27N7O3S/c1-17-16-39-25(31-17)22-9-6-11-35(22)26(36)19-13-20(23-30-10-12-37-23)32-21(14-19)24-33-34-27(38-24)28(2,29)15-18-7-4-3-5-8-18/h3-5,7-8,10,12-14,16,22H,6,9,11,15,29H2,1-2H3/t22-,28-/m1/s1
InChIKeyQQYZODMFIDPKAD-SKCUWOTOSA-N
MW541.64 g/mol
LogP4.95
Rot. Bonds7

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-methyl-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-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 56967438) has the molecular formula C28H27N7O3S and a molecular weight of 541.64 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-methyl-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-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID56967438
Molecular FormulaC28H27N7O3S
Molecular Weight541.64 g/mol
Exact Mass541.19
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-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1csc([C@H]2CCCN2C(=O)c2cc(-c3ncco3)nc(-c3nnc([C@](C)(N)Cc4ccccc4)o3)c2)n1
InChIInChI=1S/C28H27N7O3S/c1-17-16-39-25(31-17)22-9-6-11-35(22)26(36)19-13-20(23-30-10-12-37-23)32-21(14-19)24-33-34-27(38-24)28(2,29)15-18-7-4-3-5-8-18/h3-5,7-8,10,12-14,16,22H,6,9,11,15,29H2,1-2H3/t22-,28-/m1/s1
InChIKeyQQYZODMFIDPKAD-SKCUWOTOSA-N
XLogP4.95
TPSA137.06 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.64
LogP ≤ 54.95
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-methyl-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-methyl-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-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (CID 56967438) 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-methyl-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-methyl-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-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is Cc1csc([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-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is QQYZODMFIDPKAD-SKCUWOTOSA-N. The full InChI is InChI=1S/C28H27N7O3S/c1-17-16-39-25(31-17)22-9-6-11-35(22)26(36)19-13-20(23-30-10-12-37-23)32-21(14-19)24-33-34-27(38-24)28(2,29)15-18-7-4-3-5-8-18/h3-5,7-8,10,12-14,16,22H,6,9,11,15,29H2,1-2H3/t22-,28-/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-methyl-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-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 541.64 g/mol, XLogP of 4.95, 7 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-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56967438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).