N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylmethoxy-N-propylacetamide

C22H24N4O5 — CID 90488564

IUPACN-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylmethoxy-N-propylacetamide
SMILESCCCN(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)COCc1ccccc1
InChIInChI=1S/C22H24N4O5/c1-2-13-25(21(27)16-30-15-17-6-4-3-5-7-17)14-12-20-23-22(24-31-20)18-8-10-19(11-9-18)26(28)29/h3-11H,2,12-16H2,1H3
InChIKeyQQMXLEQHKSTGPM-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.64
Rot. Bonds11

About N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylmethoxy-N-propylacetamide

N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylmethoxy-N-propylacetamide (PubChem CID 90488564) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylmethoxy-N-propylacetamide.

Molecular Properties

Compound NameN-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylmethoxy-N-propylacetamide
PubChem CID90488564
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC NameN-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylmethoxy-N-propylacetamide
SMILESCCCN(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)COCc1ccccc1
InChIInChI=1S/C22H24N4O5/c1-2-13-25(21(27)16-30-15-17-6-4-3-5-7-17)14-12-20-23-22(24-31-20)18-8-10-19(11-9-18)26(28)29/h3-11H,2,12-16H2,1H3
InChIKeyQQMXLEQHKSTGPM-UHFFFAOYSA-N
XLogP3.64
TPSA111.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylmethoxyacetamide
CID 83281668
N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)-2-phenylmethoxyacetamide
CID 83283230
N-benzyl-2-phenylmethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 83289891
N-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylmethoxy-N-propan-2-ylacetamide
CID 83280324
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)-2-phenylmethoxyacetamide
CID 83284666
N-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenyl-N-propylpropanamide
CID 83281923
N-butyl-2-(4-chlorophenoxy)-N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 90488573
4-methyl-N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propylbenzamide
CID 91635629
(E)-N-benzyl-N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylprop-2-enamide
CID 83279134
N-butyl-N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 90488582
2-methyl-4-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 174698707
N-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenyl-N-propylprop-2-enamide
CID 171136530

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylmethoxy-N-propylacetamide?
The IUPAC name of N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylmethoxy-N-propylacetamide (CID 90488564) is N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylmethoxy-N-propylacetamide.
What is the SMILES notation for N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylmethoxy-N-propylacetamide?
The canonical SMILES for N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylmethoxy-N-propylacetamide is CCCN(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)COCc1ccccc1.
What is the InChIKey of N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylmethoxy-N-propylacetamide?
The InChIKey is QQMXLEQHKSTGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-2-13-25(21(27)16-30-15-17-6-4-3-5-7-17)14-12-20-23-22(24-31-20)18-8-10-19(11-9-18)26(28)29/h3-11H,2,12-16H2,1H3.
What are the key properties of N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylmethoxy-N-propylacetamide?
N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylmethoxy-N-propylacetamide has a molecular weight of 424.46 g/mol, XLogP of 3.64, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylmethoxy-N-propylacetamide is sourced from PubChem (CID 90488564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).