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

C7H10N2O2 — CID 130637538

IUPAC4-(cyclopropylmethyl)-3-methyl-1,2,4-oxadiazol-5-one
SMILESCc1noc(=O)n1CC1CC1
InChIInChI=1S/C7H10N2O2/c1-5-8-11-7(10)9(5)4-6-2-3-6/h6H,2-4H2,1H3
InChIKeyWCROLRQODOEJBL-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.55
Rot. Bonds2

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

4-(cyclopropylmethyl)-3-methyl-1,2,4-oxadiazol-5-one (PubChem CID 130637538) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-3-methyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-3-methyl-1,2,4-oxadiazol-5-one
PubChem CID130637538
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name4-(cyclopropylmethyl)-3-methyl-1,2,4-oxadiazol-5-one
SMILESCc1noc(=O)n1CC1CC1
InChIInChI=1S/C7H10N2O2/c1-5-8-11-7(10)9(5)4-6-2-3-6/h6H,2-4H2,1H3
InChIKeyWCROLRQODOEJBL-UHFFFAOYSA-N
XLogP0.55
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(cyclopropylmethyl)-3-methyl-1,2,4-oxadiazol-5-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

1,2,4-Oxadiazol-5(4H)-one, 4-butyl-3-methyl-
CID 12317370
1,2,4-Oxadiazol-5(4H)-one, 4-butyl-3-ethyl-
CID 12317371
1,2,4-Oxadiazol-5(4H)-one, 4-butyl-3-propyl-
CID 12317372
1,2,4-Oxadiazol-5(4H)-one, 3-methyl-4-propyl-
CID 12317366
3,4-Di(propan-2-yl)-1,2,4-oxadiazol-5-one
CID 58578315
4-(2,2-Dimethylpropyl)-3-methyl-1,2,4-oxadiazol-5-one
CID 59804106
3-Cyclopropyl-4-methyl-1,2,4-oxadiazol-5-one
CID 127013072
4-Methyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one
CID 131157728
3-Butan-2-yl-4-methyl-1,2,4-oxadiazol-5-one
CID 155378122
1,2,4-Oxadiazol-5(4H)-one, 3,4-diethyl-
CID 12317363
1,2,4-Oxadiazol-5(4H)-one, 4-ethyl-3-propyl-
CID 12317364
1,2,4-Oxadiazol-5(4H)-one, 3-ethyl-4-propyl-
CID 12317367

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-3-methyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(cyclopropylmethyl)-3-methyl-1,2,4-oxadiazol-5-one (CID 130637538) is 4-(cyclopropylmethyl)-3-methyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-3-methyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(cyclopropylmethyl)-3-methyl-1,2,4-oxadiazol-5-one is Cc1noc(=O)n1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-3-methyl-1,2,4-oxadiazol-5-one?
The InChIKey is WCROLRQODOEJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5-8-11-7(10)9(5)4-6-2-3-6/h6H,2-4H2,1H3.
What are the key properties of 4-(cyclopropylmethyl)-3-methyl-1,2,4-oxadiazol-5-one?
4-(cyclopropylmethyl)-3-methyl-1,2,4-oxadiazol-5-one has a molecular weight of 154.17 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-3-methyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 130637538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).