3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide

C23H23N5O3 — CID 55840052

IUPAC3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)NCc3ccc(-c4ccn[nH]4)cc3)n2)cc1
InChIInChI=1S/C23H23N5O3/c1-2-30-19-9-7-18(8-10-19)23-26-22(31-28-23)12-11-21(29)24-15-16-3-5-17(6-4-16)20-13-14-25-27-20/h3-10,13-14H,2,11-12,15H2,1H3,(H,24,29)(H,25,27)
InChIKeyVDTTYJALMSJGCN-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.77
Rot. Bonds9

About 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide (PubChem CID 55840052) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
PubChem CID55840052
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)NCc3ccc(-c4ccn[nH]4)cc3)n2)cc1
InChIInChI=1S/C23H23N5O3/c1-2-30-19-9-7-18(8-10-19)23-26-22(31-28-23)12-11-21(29)24-15-16-3-5-17(6-4-16)20-13-14-25-27-20/h3-10,13-14H,2,11-12,15H2,1H3,(H,24,29)(H,25,27)
InChIKeyVDTTYJALMSJGCN-UHFFFAOYSA-N
XLogP3.77
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[(3,4-dimethoxyphenyl)methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide?
The IUPAC name of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide (CID 55840052) is 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide is CCOc1ccc(-c2noc(CCC(=O)NCc3ccc(-c4ccn[nH]4)cc3)n2)cc1.
What is the InChIKey of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide?
The InChIKey is VDTTYJALMSJGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-2-30-19-9-7-18(8-10-19)23-26-22(31-28-23)12-11-21(29)24-15-16-3-5-17(6-4-16)20-13-14-25-27-20/h3-10,13-14H,2,11-12,15H2,1H3,(H,24,29)(H,25,27).
What are the key properties of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide?
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide has a molecular weight of 417.47 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 55840052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).