3-propyl-4H-1,2,4-oxadiazol-5-one

C10H16N4O4 — CID 170707204

IUPAC3-propyl-4H-1,2,4-oxadiazol-5-one
SMILESCCCc1noc(=O)[nH]1.CCCc1noc(=O)[nH]1
InChIInChI=1S/2C5H8N2O2/c2*1-2-3-4-6-5(8)9-7-4/h2*2-3H2,1H3,(H,6,7,8)
InChIKeyPCWBPGSSPPWFJN-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.63
Rot. Bonds4

About 3-propyl-4H-1,2,4-oxadiazol-5-one

3-propyl-4H-1,2,4-oxadiazol-5-one (PubChem CID 170707204) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-propyl-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-propyl-4H-1,2,4-oxadiazol-5-one
PubChem CID170707204
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name3-propyl-4H-1,2,4-oxadiazol-5-one
SMILESCCCc1noc(=O)[nH]1.CCCc1noc(=O)[nH]1
InChIInChI=1S/2C5H8N2O2/c2*1-2-3-4-6-5(8)9-7-4/h2*2-3H2,1H3,(H,6,7,8)
InChIKeyPCWBPGSSPPWFJN-UHFFFAOYSA-N
XLogP0.63
TPSA117.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 135543606
CID 135543606
3-Butyl-1,2,4-oxadiazol-5(4H)-one
CID 135773291
3-propyl-4H-1,2,4-oxadiazol-5-one
CID 136006252
ethane;molecular hydrogen;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one
CID 143969788
3-butyl-4H-1,2,4-oxadiazol-5-one;ethane;molecular hydrogen
CID 144268242
3-butyl-4H-1,2,4-oxadiazol-5-one;ethane
CID 144268269
3-ethyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen
CID 153349929
ethane;3-ethyl-4H-1,2,4-oxadiazol-5-one
CID 153349931
bis(3-methyl-4H-1,2,4-oxadiazol-5-one);3-propan-2-yl-4H-1,2,4-oxadiazol-5-one
CID 157575117
methane;tris(3-propan-2-yl-4H-1,2,4-oxadiazol-5-one)
CID 158466810
CID 159581438
CID 159581438
CID 160912900
CID 160912900

Frequently Asked Questions

What is the IUPAC name of 3-propyl-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-propyl-4H-1,2,4-oxadiazol-5-one (CID 170707204) is 3-propyl-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-propyl-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-propyl-4H-1,2,4-oxadiazol-5-one is CCCc1noc(=O)[nH]1.CCCc1noc(=O)[nH]1.
What is the InChIKey of 3-propyl-4H-1,2,4-oxadiazol-5-one?
The InChIKey is PCWBPGSSPPWFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8N2O2/c2*1-2-3-4-6-5(8)9-7-4/h2*2-3H2,1H3,(H,6,7,8).
What are the key properties of 3-propyl-4H-1,2,4-oxadiazol-5-one?
3-propyl-4H-1,2,4-oxadiazol-5-one has a molecular weight of 256.26 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 170707204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).