5-[(1S,2S)-2-methyl-2-phenylcyclopropyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

C18H23N3O — CID 167027018

IUPAC5-[(1S,2S)-2-methyl-2-phenylcyclopropyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1(c2noc([C@H]3C[C@]3(C)c3ccccc3)n2)CCNCC1
InChIInChI=1S/C18H23N3O/c1-17(8-10-19-11-9-17)16-20-15(22-21-16)14-12-18(14,2)13-6-4-3-5-7-13/h3-7,14,19H,8-12H2,1-2H3/t14-,18-/m1/s1
InChIKeyXXVDCNULJBEICY-RDTXWAMCSA-N
MW297.40 g/mol
LogP3.16
Rot. Bonds3

About 5-[(1S,2S)-2-methyl-2-phenylcyclopropyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

5-[(1S,2S)-2-methyl-2-phenylcyclopropyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 167027018) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-[(1S,2S)-2-methyl-2-phenylcyclopropyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S,2S)-2-methyl-2-phenylcyclopropyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID167027018
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-[(1S,2S)-2-methyl-2-phenylcyclopropyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1(c2noc([C@H]3C[C@]3(C)c3ccccc3)n2)CCNCC1
InChIInChI=1S/C18H23N3O/c1-17(8-10-19-11-9-17)16-20-15(22-21-16)14-12-18(14,2)13-6-4-3-5-7-13/h3-7,14,19H,8-12H2,1-2H3/t14-,18-/m1/s1
InChIKeyXXVDCNULJBEICY-RDTXWAMCSA-N
XLogP3.16
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(1S,2S)-2-methyl-2-phenylcyclopropyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole 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 5-[(1S,2S)-2-methyl-2-phenylcyclopropyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S,2S)-2-methyl-2-phenylcyclopropyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 167027018) is 5-[(1S,2S)-2-methyl-2-phenylcyclopropyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S,2S)-2-methyl-2-phenylcyclopropyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S,2S)-2-methyl-2-phenylcyclopropyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is CC1(c2noc([C@H]3C[C@]3(C)c3ccccc3)n2)CCNCC1.
What is the InChIKey of 5-[(1S,2S)-2-methyl-2-phenylcyclopropyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is XXVDCNULJBEICY-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H23N3O/c1-17(8-10-19-11-9-17)16-20-15(22-21-16)14-12-18(14,2)13-6-4-3-5-7-13/h3-7,14,19H,8-12H2,1-2H3/t14-,18-/m1/s1.
What are the key properties of 5-[(1S,2S)-2-methyl-2-phenylcyclopropyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
5-[(1S,2S)-2-methyl-2-phenylcyclopropyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 297.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2S)-2-methyl-2-phenylcyclopropyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167027018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).