N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmethoxyacetamide

C17H19N5O3 — CID 121022184

IUPACN-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmethoxyacetamide
SMILESCCn1cc(-c2noc(CNC(=O)COCc3ccccc3)n2)cn1
InChIInChI=1S/C17H19N5O3/c1-2-22-10-14(8-19-22)17-20-16(25-21-17)9-18-15(23)12-24-11-13-6-4-3-5-7-13/h3-8,10H,2,9,11-12H2,1H3,(H,18,23)
InChIKeySXRCWAUGRKFLMX-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.79
Rot. Bonds8

About N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmethoxyacetamide

N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmethoxyacetamide (PubChem CID 121022184) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmethoxyacetamide
PubChem CID121022184
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmethoxyacetamide
SMILESCCn1cc(-c2noc(CNC(=O)COCc3ccccc3)n2)cn1
InChIInChI=1S/C17H19N5O3/c1-2-22-10-14(8-19-22)17-20-16(25-21-17)9-18-15(23)12-24-11-13-6-4-3-5-7-13/h3-8,10H,2,9,11-12H2,1H3,(H,18,23)
InChIKeySXRCWAUGRKFLMX-UHFFFAOYSA-N
XLogP1.79
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 121199999
N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121022168
5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-phenyl-1,2,4-oxadiazole
CID 99801203
N-[[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103239
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
N-[[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103259
5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole
CID 19324429
benzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 110323055
2-(3,5-dimethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 1251850
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55693843
N-[(2-fluorophenyl)methyl]-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 75538356
3-chloro-N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide
CID 119104989

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmethoxyacetamide (CID 121022184) is N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmethoxyacetamide is CCn1cc(-c2noc(CNC(=O)COCc3ccccc3)n2)cn1.
What is the InChIKey of N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmethoxyacetamide?
The InChIKey is SXRCWAUGRKFLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-2-22-10-14(8-19-22)17-20-16(25-21-17)9-18-15(23)12-24-11-13-6-4-3-5-7-13/h3-8,10H,2,9,11-12H2,1H3,(H,18,23).
What are the key properties of N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmethoxyacetamide?
N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmethoxyacetamide has a molecular weight of 341.37 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 121022184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).