N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(2-chlorophenoxy)acetamide

C12H11ClN4O4 — CID 134706738

IUPACN-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(2-chlorophenoxy)acetamide
SMILESCC(=O)Nc1nonc1NC(=O)COc1ccccc1Cl
InChIInChI=1S/C12H11ClN4O4/c1-7(18)14-11-12(17-21-16-11)15-10(19)6-20-9-5-3-2-4-8(9)13/h2-5H,6H2,1H3,(H,14,16,18)(H,15,17,19)
InChIKeyFSNVJINNMLGJHA-UHFFFAOYSA-N
MW310.70 g/mol
LogP1.70
Rot. Bonds5

About N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(2-chlorophenoxy)acetamide

N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(2-chlorophenoxy)acetamide (PubChem CID 134706738) has the molecular formula C12H11ClN4O4 and a molecular weight of 310.70 g/mol. Its IUPAC name is N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(2-chlorophenoxy)acetamide
PubChem CID134706738
Molecular FormulaC12H11ClN4O4
Molecular Weight310.70 g/mol
Exact Mass310.05
IUPAC NameN-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(2-chlorophenoxy)acetamide
SMILESCC(=O)Nc1nonc1NC(=O)COc1ccccc1Cl
InChIInChI=1S/C12H11ClN4O4/c1-7(18)14-11-12(17-21-16-11)15-10(19)6-20-9-5-3-2-4-8(9)13/h2-5H,6H2,1H3,(H,14,16,18)(H,15,17,19)
InChIKeyFSNVJINNMLGJHA-UHFFFAOYSA-N
XLogP1.70
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.70
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenoxy)-N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
CID 1015487
2-(2-chlorophenoxy)-N-(3-hydroxy-2-pyridinyl)acetamide
CID 18109429
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
2-(2-chlorophenoxy)-N-[6-[[2-(2-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide
CID 1342446
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
CID 3306540
N-(2-acetylphenyl)-2-(2-chlorophenoxy)acetamide
CID 2707164
2-(2-chlorophenoxy)-N-pyridin-4-ylacetamide
CID 21229438
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-chlorophenoxy)acetamide
CID 19178556
2-(2-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 1231037
N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4922767

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(2-chlorophenoxy)acetamide (CID 134706738) is N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(2-chlorophenoxy)acetamide is CC(=O)Nc1nonc1NC(=O)COc1ccccc1Cl.
What is the InChIKey of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(2-chlorophenoxy)acetamide?
The InChIKey is FSNVJINNMLGJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O4/c1-7(18)14-11-12(17-21-16-11)15-10(19)6-20-9-5-3-2-4-8(9)13/h2-5H,6H2,1H3,(H,14,16,18)(H,15,17,19).
What are the key properties of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(2-chlorophenoxy)acetamide?
N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(2-chlorophenoxy)acetamide has a molecular weight of 310.70 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 134706738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).