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

C16H24N4O3 — CID 72886580

IUPACN-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCc2nc(C3CCCCC3)no2)CC1=O
InChIInChI=1S/C16H24N4O3/c1-2-20-10-12(8-14(20)21)16(22)17-9-13-18-15(19-23-13)11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,17,22)
InChIKeyQCLYWIQECWXCCV-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.60
Rot. Bonds5

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

N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 72886580) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID72886580
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCc2nc(C3CCCCC3)no2)CC1=O
InChIInChI=1S/C16H24N4O3/c1-2-20-10-12(8-14(20)21)16(22)17-9-13-18-15(19-23-13)11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,17,22)
InChIKeyQCLYWIQECWXCCV-UHFFFAOYSA-N
XLogP1.60
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 72886580) is N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCN1CC(C(=O)NCc2nc(C3CCCCC3)no2)CC1=O.
What is the InChIKey of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QCLYWIQECWXCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-2-20-10-12(8-14(20)21)16(22)17-9-13-18-15(19-23-13)11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,17,22).
What are the key properties of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 72886580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).