3-cyclopropyl-4-(cyclopropylmethyl)-1,2,4-oxadiazol-5-one

C9H12N2O2 — CID 130674361

IUPAC3-cyclopropyl-4-(cyclopropylmethyl)-1,2,4-oxadiazol-5-one
SMILESO=c1onc(C2CC2)n1CC1CC1
InChIInChI=1S/C9H12N2O2/c12-9-11(5-6-1-2-6)8(10-13-9)7-3-4-7/h6-7H,1-5H2
InChIKeyWGQIWDMLPGSADZ-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.12
Rot. Bonds3

About 3-cyclopropyl-4-(cyclopropylmethyl)-1,2,4-oxadiazol-5-one

3-cyclopropyl-4-(cyclopropylmethyl)-1,2,4-oxadiazol-5-one (PubChem CID 130674361) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-cyclopropyl-4-(cyclopropylmethyl)-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-cyclopropyl-4-(cyclopropylmethyl)-1,2,4-oxadiazol-5-one
PubChem CID130674361
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-cyclopropyl-4-(cyclopropylmethyl)-1,2,4-oxadiazol-5-one
SMILESO=c1onc(C2CC2)n1CC1CC1
InChIInChI=1S/C9H12N2O2/c12-9-11(5-6-1-2-6)8(10-13-9)7-3-4-7/h6-7H,1-5H2
InChIKeyWGQIWDMLPGSADZ-UHFFFAOYSA-N
XLogP1.12
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,4-Oxadiazol-5(4H)-one, 4-butyl-3-ethyl-
CID 12317371
3-Cyclopropyl-4-methyl-1,2,4-oxadiazol-5-one
CID 127013072
1,2,4-Oxadiazol-5(4H)-one, 3,4-dipropyl-
CID 12317368
3-Propan-2-yl-4-propyl-1,2,4-oxadiazol-5-one
CID 101546755
4-Ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one
CID 130621270
4-(Cyclopropylmethyl)-3-methyl-1,2,4-oxadiazol-5-one
CID 130637538
2-(3-Cyclopropyl-5-oxo-1,2,4-oxadiazol-4-yl)acetonitrile
CID 130658682
3-Cyclopropyl-4-(2-methylpropyl)-1,2,4-oxadiazol-5-one
CID 130677449
3-Cyclopropyl-4-ethyl-1,2,4-oxadiazol-5-one
CID 130703001
2-[3-(Cyclopropylmethyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetonitrile
CID 131224017
3-Cyclopropyl-4-hexyl-1,2,4-oxadiazol-5-one
CID 166301466

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(cyclopropylmethyl)-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-cyclopropyl-4-(cyclopropylmethyl)-1,2,4-oxadiazol-5-one (CID 130674361) is 3-cyclopropyl-4-(cyclopropylmethyl)-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-cyclopropyl-4-(cyclopropylmethyl)-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-cyclopropyl-4-(cyclopropylmethyl)-1,2,4-oxadiazol-5-one is O=c1onc(C2CC2)n1CC1CC1.
What is the InChIKey of 3-cyclopropyl-4-(cyclopropylmethyl)-1,2,4-oxadiazol-5-one?
The InChIKey is WGQIWDMLPGSADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-9-11(5-6-1-2-6)8(10-13-9)7-3-4-7/h6-7H,1-5H2.
What are the key properties of 3-cyclopropyl-4-(cyclopropylmethyl)-1,2,4-oxadiazol-5-one?
3-cyclopropyl-4-(cyclopropylmethyl)-1,2,4-oxadiazol-5-one has a molecular weight of 180.21 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(cyclopropylmethyl)-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 130674361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).