3-[(2-carbamoylphenoxy)methyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

C18H15ClN4O4 — CID 45495123

IUPAC3-[(2-carbamoylphenoxy)methyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1ccccc1OCc1noc(C(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C18H15ClN4O4/c19-13-7-3-1-5-11(13)9-21-17(25)18-22-15(23-27-18)10-26-14-8-4-2-6-12(14)16(20)24/h1-8H,9-10H2,(H2,20,24)(H,21,25)
InChIKeyIBAYTAWNWKNQGY-UHFFFAOYSA-N
MW386.80 g/mol
LogP2.33
Rot. Bonds7

About 3-[(2-carbamoylphenoxy)methyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

3-[(2-carbamoylphenoxy)methyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 45495123) has the molecular formula C18H15ClN4O4 and a molecular weight of 386.80 g/mol. Its IUPAC name is 3-[(2-carbamoylphenoxy)methyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-carbamoylphenoxy)methyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID45495123
Molecular FormulaC18H15ClN4O4
Molecular Weight386.80 g/mol
Exact Mass386.08
IUPAC Name3-[(2-carbamoylphenoxy)methyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1ccccc1OCc1noc(C(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C18H15ClN4O4/c19-13-7-3-1-5-11(13)9-21-17(25)18-22-15(23-27-18)10-26-14-8-4-2-6-12(14)16(20)24/h1-8H,9-10H2,(H2,20,24)(H,21,25)
InChIKeyIBAYTAWNWKNQGY-UHFFFAOYSA-N
XLogP2.33
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.80
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
CID 75269878
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[(2-carbamoylphenoxy)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 98229547
N-[(2-chlorophenyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9401470
ethyl 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole-5-carboxylate
CID 2743654
N-[(3-carbamoylphenyl)methyl]-2-[(2-chlorophenyl)methoxy]benzamide
CID 32636545
3-[(2-acetamidophenoxy)methyl]-N-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 45495301
2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 38859277
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 37216371
N-[(2-chlorophenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521078
3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 45492028
2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzamide
CID 9085660
3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxylic acid
CID 96592622

Frequently Asked Questions

What is the IUPAC name of 3-[(2-carbamoylphenoxy)methyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(2-carbamoylphenoxy)methyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 45495123) is 3-[(2-carbamoylphenoxy)methyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(2-carbamoylphenoxy)methyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(2-carbamoylphenoxy)methyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide is NC(=O)c1ccccc1OCc1noc(C(=O)NCc2ccccc2Cl)n1.
What is the InChIKey of 3-[(2-carbamoylphenoxy)methyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is IBAYTAWNWKNQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O4/c19-13-7-3-1-5-11(13)9-21-17(25)18-22-15(23-27-18)10-26-14-8-4-2-6-12(14)16(20)24/h1-8H,9-10H2,(H2,20,24)(H,21,25).
What are the key properties of 3-[(2-carbamoylphenoxy)methyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[(2-carbamoylphenoxy)methyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 386.80 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-carbamoylphenoxy)methyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 45495123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).