1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]pyrrolidine-2,5-dione

C15H22N4O3 — CID 133417574

IUPAC1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]pyrrolidine-2,5-dione
SMILESCC(C)c1noc(NC2CCC(N3C(=O)CCC3=O)CC2)n1
InChIInChI=1S/C15H22N4O3/c1-9(2)14-17-15(22-18-14)16-10-3-5-11(6-4-10)19-12(20)7-8-13(19)21/h9-11H,3-8H2,1-2H3,(H,16,17,18)
InChIKeySVUXQRZOYCMNOW-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.07
Rot. Bonds4

About 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]pyrrolidine-2,5-dione

1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]pyrrolidine-2,5-dione (PubChem CID 133417574) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]pyrrolidine-2,5-dione
PubChem CID133417574
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]pyrrolidine-2,5-dione
SMILESCC(C)c1noc(NC2CCC(N3C(=O)CCC3=O)CC2)n1
InChIInChI=1S/C15H22N4O3/c1-9(2)14-17-15(22-18-14)16-10-3-5-11(6-4-10)19-12(20)7-8-13(19)21/h9-11H,3-8H2,1-2H3,(H,16,17,18)
InChIKeySVUXQRZOYCMNOW-UHFFFAOYSA-N
XLogP2.07
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]pyrrolidine-2,5-dione with MolForge

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Related Compounds

N-[(9R)-6-oxaspiro[4.5]decan-9-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 97085806
N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 133386967
N-[1-(2-methoxyethyl)piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 71924081
N-[(3S,4S)-4-methoxyoxolan-3-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 128729810
N-cyclopropyl-3-(1-methoxybutyl)-1,2,4-oxadiazol-5-amine
CID 116730928
N-[(1S,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 98342830
1-[4-[(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]cyclohexyl]pyrrolidine-2,5-dione
CID 133417730
1-[4-[(2,6-ditert-butylpyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione
CID 133417725
N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine
CID 90326100
1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione
CID 43653818
3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 126825339
N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 63347914

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]pyrrolidine-2,5-dione (CID 133417574) is 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]pyrrolidine-2,5-dione is CC(C)c1noc(NC2CCC(N3C(=O)CCC3=O)CC2)n1.
What is the InChIKey of 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]pyrrolidine-2,5-dione?
The InChIKey is SVUXQRZOYCMNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-9(2)14-17-15(22-18-14)16-10-3-5-11(6-4-10)19-12(20)7-8-13(19)21/h9-11H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]pyrrolidine-2,5-dione?
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]pyrrolidine-2,5-dione has a molecular weight of 306.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 133417574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).