(4R)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-1-propylpyrrolidin-2-one

C13H22N4O2 — CID 97210380

IUPAC(4R)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-1-propylpyrrolidin-2-one
SMILESCCCN1C[C@H](Nc2nnc(C(C)(C)C)o2)CC1=O
InChIInChI=1S/C13H22N4O2/c1-5-6-17-8-9(7-10(17)18)14-12-16-15-11(19-12)13(2,3)4/h9H,5-8H2,1-4H3,(H,14,16)/t9-/m1/s1
InChIKeyXJINXVNMJQSCAJ-SECBINFHSA-N
MW266.34 g/mol
LogP1.79
Rot. Bonds4

About (4R)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-1-propylpyrrolidin-2-one

(4R)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-1-propylpyrrolidin-2-one (PubChem CID 97210380) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4R)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-1-propylpyrrolidin-2-one
PubChem CID97210380
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(4R)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-1-propylpyrrolidin-2-one
SMILESCCCN1C[C@H](Nc2nnc(C(C)(C)C)o2)CC1=O
InChIInChI=1S/C13H22N4O2/c1-5-6-17-8-9(7-10(17)18)14-12-16-15-11(19-12)13(2,3)4/h9H,5-8H2,1-4H3,(H,14,16)/t9-/m1/s1
InChIKeyXJINXVNMJQSCAJ-SECBINFHSA-N
XLogP1.79
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-1-propylpyrrolidin-2-one with MolForge

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Related Compounds

4-[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-propylpyrrolidin-2-one
CID 137345477
4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one
CID 56902346
(4R)-4-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one
CID 95867454
4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one
CID 137342222
1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-4-ethynylpyrrolidin-2-one
CID 168500301
(4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 97444975
(4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one
CID 95875756
(4R)-1-(3-methylphenyl)-4-[(5-propyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-2-one
CID 97202496
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
4-[[2-(5-methylfuran-2-yl)phenyl]methylamino]-1-propylpyrrolidin-2-one
CID 131947006
4-[(3-methyl-5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-yl)amino]-1-propylpyrrolidin-2-one
CID 72920782
N-[4-[2-oxo-2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]amino]ethyl]phenyl]butanamide
CID 95046973

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-1-propylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-1-propylpyrrolidin-2-one (CID 97210380) is (4R)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-1-propylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-1-propylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-1-propylpyrrolidin-2-one is CCCN1C[C@H](Nc2nnc(C(C)(C)C)o2)CC1=O.
What is the InChIKey of (4R)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-1-propylpyrrolidin-2-one?
The InChIKey is XJINXVNMJQSCAJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-5-6-17-8-9(7-10(17)18)14-12-16-15-11(19-12)13(2,3)4/h9H,5-8H2,1-4H3,(H,14,16)/t9-/m1/s1.
What are the key properties of (4R)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-1-propylpyrrolidin-2-one?
(4R)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-1-propylpyrrolidin-2-one has a molecular weight of 266.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-1-propylpyrrolidin-2-one is sourced from PubChem (CID 97210380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).