1-tert-butyl-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C18H28N4O3 — CID 70769221

IUPAC1-tert-butyl-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)NCc2nc(C3CCCCC3)no2)CC1=O
InChIInChI=1S/C18H28N4O3/c1-18(2,3)22-11-13(9-15(22)23)17(24)19-10-14-20-16(21-25-14)12-7-5-4-6-8-12/h12-13H,4-11H2,1-3H3,(H,19,24)
InChIKeyLNBLDYVQPDRWLC-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.38
Rot. Bonds4

About 1-tert-butyl-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-tert-butyl-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 70769221) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-tert-butyl-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID70769221
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-tert-butyl-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)NCc2nc(C3CCCCC3)no2)CC1=O
InChIInChI=1S/C18H28N4O3/c1-18(2,3)22-11-13(9-15(22)23)17(24)19-10-14-20-16(21-25-14)12-7-5-4-6-8-12/h12-13H,4-11H2,1-3H3,(H,19,24)
InChIKeyLNBLDYVQPDRWLC-UHFFFAOYSA-N
XLogP2.38
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 70769221) is 1-tert-butyl-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide is CC(C)(C)N1CC(C(=O)NCc2nc(C3CCCCC3)no2)CC1=O.
What is the InChIKey of 1-tert-butyl-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LNBLDYVQPDRWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-18(2,3)22-11-13(9-15(22)23)17(24)19-10-14-20-16(21-25-14)12-7-5-4-6-8-12/h12-13H,4-11H2,1-3H3,(H,19,24).
What are the key properties of 1-tert-butyl-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-tert-butyl-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 70769221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).