cis-(1R,2S)-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide

C19H19N3O2 — CID 99697610

IUPACcis-(1R,2S)-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide
SMILESCc1nc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)no1
InChIInChI=1S/C19H19N3O2/c1-11(18-21-12(2)24-22-18)20-19(23)17-10-16(17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,11,16-17H,10H2,1-2H3,(H,20,23)/t11-,16+,17+/m0/s1
InChIKeyLDBPIOUJCNUYRR-YMRXKLBXSA-N
MW321.38 g/mol
LogP3.51
Rot. Bonds4

About cis-(1R,2S)-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide (PubChem CID 99697610) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide
PubChem CID99697610
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Namecis-(1R,2S)-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide
SMILESCc1nc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)no1
InChIInChI=1S/C19H19N3O2/c1-11(18-21-12(2)24-22-18)20-19(23)17-10-16(17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,11,16-17H,10H2,1-2H3,(H,20,23)/t11-,16+,17+/m0/s1
InChIKeyLDBPIOUJCNUYRR-YMRXKLBXSA-N
XLogP3.51
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-naphthalen-1-ylcyclopropane-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 cis-(1R,2S)-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide (CID 99697610) is cis-(1R,2S)-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide is Cc1nc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)no1.
What is the InChIKey of cis-(1R,2S)-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide?
The InChIKey is LDBPIOUJCNUYRR-YMRXKLBXSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-11(18-21-12(2)24-22-18)20-19(23)17-10-16(17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,11,16-17H,10H2,1-2H3,(H,20,23)/t11-,16+,17+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 99697610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).