cis-(4-methyl-1,2,5-oxadiazol-3-yl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

C14H20N2O3 — CID 99810812

IUPACcis-(4-methyl-1,2,5-oxadiazol-3-yl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESCC(C)=C[C@H]1[C@H](C(=O)OCc2nonc2C)C1(C)C
InChIInChI=1S/C14H20N2O3/c1-8(2)6-10-12(14(10,4)5)13(17)18-7-11-9(3)15-19-16-11/h6,10,12H,7H2,1-5H3/t10-,12+/m0/s1
InChIKeyKKBBJJGZNJVZFL-CMPLNLGQSA-N
MW264.32 g/mol
LogP2.66
Rot. Bonds4

About cis-(4-methyl-1,2,5-oxadiazol-3-yl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

cis-(4-methyl-1,2,5-oxadiazol-3-yl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (PubChem CID 99810812) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is cis-(4-methyl-1,2,5-oxadiazol-3-yl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-(4-methyl-1,2,5-oxadiazol-3-yl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
PubChem CID99810812
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namecis-(4-methyl-1,2,5-oxadiazol-3-yl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESCC(C)=C[C@H]1[C@H](C(=O)OCc2nonc2C)C1(C)C
InChIInChI=1S/C14H20N2O3/c1-8(2)6-10-12(14(10,4)5)13(17)18-7-11-9(3)15-19-16-11/h6,10,12H,7H2,1-5H3/t10-,12+/m0/s1
InChIKeyKKBBJJGZNJVZFL-CMPLNLGQSA-N
XLogP2.66
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze cis-(4-methyl-1,2,5-oxadiazol-3-yl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(4-methyl-1,2,5-oxadiazol-3-yl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-(4-methyl-1,2,5-oxadiazol-3-yl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (CID 99810812) is cis-(4-methyl-1,2,5-oxadiazol-3-yl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-(4-methyl-1,2,5-oxadiazol-3-yl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-(4-methyl-1,2,5-oxadiazol-3-yl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is CC(C)=C[C@H]1[C@H](C(=O)OCc2nonc2C)C1(C)C.
What is the InChIKey of cis-(4-methyl-1,2,5-oxadiazol-3-yl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The InChIKey is KKBBJJGZNJVZFL-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-8(2)6-10-12(14(10,4)5)13(17)18-7-11-9(3)15-19-16-11/h6,10,12H,7H2,1-5H3/t10-,12+/m0/s1.
What are the key properties of cis-(4-methyl-1,2,5-oxadiazol-3-yl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
cis-(4-methyl-1,2,5-oxadiazol-3-yl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(4-methyl-1,2,5-oxadiazol-3-yl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 99810812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).