5-[[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

C13H13ClN4O4 — CID 91777284

IUPAC5-[[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CNC(=O)Cc2ccc(O)c(Cl)c2)n1
InChIInChI=1S/C13H13ClN4O4/c1-15-13(21)12-17-11(22-18-12)6-16-10(20)5-7-2-3-9(19)8(14)4-7/h2-4,19H,5-6H2,1H3,(H,15,21)(H,16,20)
InChIKeyKHCSGQSUFOKHCI-UHFFFAOYSA-N
MW324.72 g/mol
LogP0.65
Rot. Bonds5

About 5-[[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-[[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 91777284) has the molecular formula C13H13ClN4O4 and a molecular weight of 324.72 g/mol. Its IUPAC name is 5-[[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID91777284
Molecular FormulaC13H13ClN4O4
Molecular Weight324.72 g/mol
Exact Mass324.06
IUPAC Name5-[[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CNC(=O)Cc2ccc(O)c(Cl)c2)n1
InChIInChI=1S/C13H13ClN4O4/c1-15-13(21)12-17-11(22-18-12)6-16-10(20)5-7-2-3-9(19)8(14)4-7/h2-4,19H,5-6H2,1H3,(H,15,21)(H,16,20)
InChIKeyKHCSGQSUFOKHCI-UHFFFAOYSA-N
XLogP0.65
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.72
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide with MolForge

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Related Compounds

5-[[2-[(4-chlorophenyl)methylsulfanyl]propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 118768339
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 19022935
N-[[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 83288169
2-(4-cyanophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 63374945
2-(3,4-dimethylphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 50875098
3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide
CID 162685439
5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 118791795
5-[[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 91836949
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 83289940
N-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide
CID 113199023
N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide
CID 56752509

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 91777284) is 5-[[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(CNC(=O)Cc2ccc(O)c(Cl)c2)n1.
What is the InChIKey of 5-[[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is KHCSGQSUFOKHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O4/c1-15-13(21)12-17-11(22-18-12)6-16-10(20)5-7-2-3-9(19)8(14)4-7/h2-4,19H,5-6H2,1H3,(H,15,21)(H,16,20).
What are the key properties of 5-[[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-[[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 324.72 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 91777284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).