trans-(1R,3S)-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C19H23N3O2 — CID 52525045

IUPACtrans-(1R,3S)-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@H]1[C@@H](C(=O)Nc2cc(-c3nnco3)ccc2C)C1(C)C
InChIInChI=1S/C19H23N3O2/c1-11(2)8-14-16(19(14,4)5)17(23)21-15-9-13(7-6-12(15)3)18-22-20-10-24-18/h6-10,14,16H,1-5H3,(H,21,23)/t14-,16-/m0/s1
InChIKeyHACZHFWEGWXYGL-HOCLYGCPSA-N
MW325.41 g/mol
LogP4.22
Rot. Bonds4

About trans-(1R,3S)-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

trans-(1R,3S)-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 52525045) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is trans-(1R,3S)-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3S)-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID52525045
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Nametrans-(1R,3S)-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@H]1[C@@H](C(=O)Nc2cc(-c3nnco3)ccc2C)C1(C)C
InChIInChI=1S/C19H23N3O2/c1-11(2)8-14-16(19(14,4)5)17(23)21-15-9-13(7-6-12(15)3)18-22-20-10-24-18/h6-10,14,16H,1-5H3,(H,21,23)/t14-,16-/m0/s1
InChIKeyHACZHFWEGWXYGL-HOCLYGCPSA-N
XLogP4.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trans-(1R,3S)-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide 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 trans-(1R,3S)-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,3S)-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 52525045) is trans-(1R,3S)-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,3S)-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,3S)-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc(-c3nnco3)ccc2C)C1(C)C.
What is the InChIKey of trans-(1R,3S)-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is HACZHFWEGWXYGL-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-11(2)8-14-16(19(14,4)5)17(23)21-15-9-13(7-6-12(15)3)18-22-20-10-24-18/h6-10,14,16H,1-5H3,(H,21,23)/t14-,16-/m0/s1.
What are the key properties of trans-(1R,3S)-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
trans-(1R,3S)-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 52525045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).