1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylimidazol-2-one

C10H14N4O2 — CID 116624641

IUPAC1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2nc(C)no2)c1=O
InChIInChI=1S/C10H14N4O2/c1-3-4-13-5-6-14(10(13)15)7-9-11-8(2)12-16-9/h5-6H,3-4,7H2,1-2H3
InChIKeyXQUQEDNUQBFLRG-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.80
Rot. Bonds4

About 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylimidazol-2-one

1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylimidazol-2-one (PubChem CID 116624641) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylimidazol-2-one
PubChem CID116624641
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2nc(C)no2)c1=O
InChIInChI=1S/C10H14N4O2/c1-3-4-13-5-6-14(10(13)15)7-9-11-8(2)12-16-9/h5-6H,3-4,7H2,1-2H3
InChIKeyXQUQEDNUQBFLRG-UHFFFAOYSA-N
XLogP0.80
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one
CID 116624283
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one
CID 115659257
1,3-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione
CID 18147410
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-propylimidazol-2-one
CID 116624745
1-[(5-ethylthiophen-2-yl)methyl]-3-propylimidazol-2-one
CID 116624713
4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine
CID 106567821
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrimidine-2,4-dione
CID 63811888
5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
CID 114582854
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
CID 18147318
N-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine
CID 66400955
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol
CID 79106524
5,6-diamino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione
CID 118969967

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylimidazol-2-one (CID 116624641) is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylimidazol-2-one is CCCn1ccn(Cc2nc(C)no2)c1=O.
What is the InChIKey of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylimidazol-2-one?
The InChIKey is XQUQEDNUQBFLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-3-4-13-5-6-14(10(13)15)7-9-11-8(2)12-16-9/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylimidazol-2-one?
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylimidazol-2-one has a molecular weight of 222.25 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylimidazol-2-one is sourced from PubChem (CID 116624641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).