2-(1-formylnaphthalen-2-yl)oxy-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide

C23H21N3O4S — CID 34124254

IUPAC2-(1-formylnaphthalen-2-yl)oxy-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCCCN(Cc1nnc(-c2cccs2)o1)C(=O)COc1ccc2ccccc2c1C=O
InChIInChI=1S/C23H21N3O4S/c1-2-11-26(13-21-24-25-23(30-21)20-8-5-12-31-20)22(28)15-29-19-10-9-16-6-3-4-7-17(16)18(19)14-27/h3-10,12,14H,2,11,13,15H2,1H3
InChIKeyYYBXSHVTBDYBJS-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.58
Rot. Bonds9

About 2-(1-formylnaphthalen-2-yl)oxy-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide

2-(1-formylnaphthalen-2-yl)oxy-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 34124254) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-(1-formylnaphthalen-2-yl)oxy-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-formylnaphthalen-2-yl)oxy-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
PubChem CID34124254
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name2-(1-formylnaphthalen-2-yl)oxy-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCCCN(Cc1nnc(-c2cccs2)o1)C(=O)COc1ccc2ccccc2c1C=O
InChIInChI=1S/C23H21N3O4S/c1-2-11-26(13-21-24-25-23(30-21)20-8-5-12-31-20)22(28)15-29-19-10-9-16-6-3-4-7-17(16)18(19)14-27/h3-10,12,14H,2,11,13,15H2,1H3
InChIKeyYYBXSHVTBDYBJS-UHFFFAOYSA-N
XLogP4.58
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 2-methylbenzoate
CID 9202493
methyl 3-bromo-4-[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethoxy]benzoate
CID 24652179
[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 3,3-diphenylpropanoate
CID 16564460
N-propyl-2-quinolin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 27874379
[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 3,5-dimethylbenzoate
CID 9229154
[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 4-methylbenzoate
CID 9018174
[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 55641107
[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 55397426
2-(2-methoxyphenyl)sulfanyl-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 60594041
[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 2-chloroquinoline-6-carboxylate
CID 55998900
[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 3-methylbenzoate
CID 9290528
[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 2-methylfuran-3-carboxylate
CID 8649006

Frequently Asked Questions

What is the IUPAC name of 2-(1-formylnaphthalen-2-yl)oxy-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(1-formylnaphthalen-2-yl)oxy-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 34124254) is 2-(1-formylnaphthalen-2-yl)oxy-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-formylnaphthalen-2-yl)oxy-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1-formylnaphthalen-2-yl)oxy-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COc1ccc2ccccc2c1C=O.
What is the InChIKey of 2-(1-formylnaphthalen-2-yl)oxy-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The InChIKey is YYBXSHVTBDYBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-2-11-26(13-21-24-25-23(30-21)20-8-5-12-31-20)22(28)15-29-19-10-9-16-6-3-4-7-17(16)18(19)14-27/h3-10,12,14H,2,11,13,15H2,1H3.
What are the key properties of 2-(1-formylnaphthalen-2-yl)oxy-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
2-(1-formylnaphthalen-2-yl)oxy-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 435.51 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-formylnaphthalen-2-yl)oxy-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 34124254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).