2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C20H33N5O3 — CID 166615991

IUPAC2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCC(=O)NC[C@H]1CC[C@@H](CC(=O)NCc2nc(C(C)(C)C)no2)N1CC1CC1
InChIInChI=1S/C20H33N5O3/c1-13(26)21-10-16-8-7-15(25(16)12-14-5-6-14)9-17(27)22-11-18-23-19(24-28-18)20(2,3)4/h14-16H,5-12H2,1-4H3,(H,21,26)(H,22,27)/t15-,16+/m0/s1
InChIKeyJSMVYAPXYYRGRW-JKSUJKDBSA-N
MW391.52 g/mol
LogP1.75
Rot. Bonds8

About 2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 166615991) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID166615991
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC Name2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCC(=O)NC[C@H]1CC[C@@H](CC(=O)NCc2nc(C(C)(C)C)no2)N1CC1CC1
InChIInChI=1S/C20H33N5O3/c1-13(26)21-10-16-8-7-15(25(16)12-14-5-6-14)9-17(27)22-11-18-23-19(24-28-18)20(2,3)4/h14-16H,5-12H2,1-4H3,(H,21,26)(H,22,27)/t15-,16+/m0/s1
InChIKeyJSMVYAPXYYRGRW-JKSUJKDBSA-N
XLogP1.75
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 166615991) is 2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is CC(=O)NC[C@H]1CC[C@@H](CC(=O)NCc2nc(C(C)(C)C)no2)N1CC1CC1.
What is the InChIKey of 2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is JSMVYAPXYYRGRW-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-13(26)21-10-16-8-7-15(25(16)12-14-5-6-14)9-17(27)22-11-18-23-19(24-28-18)20(2,3)4/h14-16H,5-12H2,1-4H3,(H,21,26)(H,22,27)/t15-,16+/m0/s1.
What are the key properties of 2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 391.52 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 166615991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).