(4S)-1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

C15H24N4O3 — CID 97454421

IUPAC(4S)-1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCC(C)(C)N1C[C@@H](c2nc(CN3CCOCC3)no2)CC1=O
InChIInChI=1S/C15H24N4O3/c1-15(2,3)19-9-11(8-13(19)20)14-16-12(17-22-14)10-18-4-6-21-7-5-18/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyILCSKBZUDLEPPU-NSHDSACASA-N
MW308.38 g/mol
LogP1.02
Rot. Bonds3

About (4S)-1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

(4S)-1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 97454421) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (4S)-1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
PubChem CID97454421
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name(4S)-1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCC(C)(C)N1C[C@@H](c2nc(CN3CCOCC3)no2)CC1=O
InChIInChI=1S/C15H24N4O3/c1-15(2,3)19-9-11(8-13(19)20)14-16-12(17-22-14)10-18-4-6-21-7-5-18/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyILCSKBZUDLEPPU-NSHDSACASA-N
XLogP1.02
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S)-1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 97455337
(5S)-1-cyclopropyl-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97143936
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-tert-butylpyrrolidin-2-one;hydrochloride
CID 120861175
(5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97154324
1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72889204
1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea
CID 166601372
11-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane
CID 86788406
1-tert-butyl-4-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 138995286
2-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864925
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one
CID 53006821
(4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 93492650
2-[2-[4-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914582

Frequently Asked Questions

What is the IUPAC name of (4S)-1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 97454421) is (4S)-1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is CC(C)(C)N1C[C@@H](c2nc(CN3CCOCC3)no2)CC1=O.
What is the InChIKey of (4S)-1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The InChIKey is ILCSKBZUDLEPPU-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N4O3/c1-15(2,3)19-9-11(8-13(19)20)14-16-12(17-22-14)10-18-4-6-21-7-5-18/h11H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (4S)-1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
(4S)-1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 308.38 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 97454421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).