5-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]-3-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole

C20H18N4O2 — CID 167853945

IUPAC5-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]-3-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole
SMILESCn1nccc1[C@@H]1C[C@H]1c1nc(COc2ccc3ccccc3c2)no1
InChIInChI=1S/C20H18N4O2/c1-24-18(8-9-21-24)16-11-17(16)20-22-19(23-26-20)12-25-15-7-6-13-4-2-3-5-14(13)10-15/h2-10,16-17H,11-12H2,1H3/t16-,17-/m1/s1
InChIKeyFXRAZEFYDHQHNB-IAGOWNOFSA-N
MW346.39 g/mol
LogP3.81
Rot. Bonds5

About 5-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]-3-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole

5-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]-3-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole (PubChem CID 167853945) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]-3-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]-3-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole
PubChem CID167853945
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name5-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]-3-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole
SMILESCn1nccc1[C@@H]1C[C@H]1c1nc(COc2ccc3ccccc3c2)no1
InChIInChI=1S/C20H18N4O2/c1-24-18(8-9-21-24)16-11-17(16)20-22-19(23-26-20)12-25-15-7-6-13-4-2-3-5-14(13)10-15/h2-10,16-17H,11-12H2,1H3/t16-,17-/m1/s1
InChIKeyFXRAZEFYDHQHNB-IAGOWNOFSA-N
XLogP3.81
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]-3-(naphthalen-2-yloxymethyl)-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

Related Compounds

2-(4-butoxyphenyl)-5-{[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372657
5-(1-Methyl-1H-pyrazol-5-YL)-3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazole
CID 53010066
5-(1-Methyl-1H-pyrazol-5-YL)-3-[4-(3-methylphenoxy)phenyl]-1,2,4-oxadiazole
CID 53010067
3-[3-(1-Methyl-1H-pyrazol-5-YL)phenyl]-5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazole
CID 53138510
3-[3-(1-Methyl-1H-pyrazol-5-YL)phenyl]-5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazole
CID 53138511
3-[(2-fluoro-4-methoxyphenyl)methyl]-5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazole
CID 126816124
3-[[4-(Difluoromethoxy)-3-ethoxyphenyl]methyl]-5-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazole
CID 132361396
2-(4-ethoxyphenyl)-5-{[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 49673107
2-(4-ethoxyphenyl)-5-{[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 49673120
2-(4-butoxyphenyl)-5-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 49674382
3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazole
CID 53138585
methyl 3-[3-phenyl-1-[4-(5-phenyl-1,2,4-oxadiazole-3-ylmethoxy)benzyl]-1H-pyrazol-4-yl]propionate
CID 23025023

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]-3-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]-3-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole (CID 167853945) is 5-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]-3-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]-3-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]-3-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole is Cn1nccc1[C@@H]1C[C@H]1c1nc(COc2ccc3ccccc3c2)no1.
What is the InChIKey of 5-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]-3-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole?
The InChIKey is FXRAZEFYDHQHNB-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-24-18(8-9-21-24)16-11-17(16)20-22-19(23-26-20)12-25-15-7-6-13-4-2-3-5-14(13)10-15/h2-10,16-17H,11-12H2,1H3/t16-,17-/m1/s1.
What are the key properties of 5-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]-3-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole?
5-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]-3-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole has a molecular weight of 346.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]-3-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167853945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).