2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide

C14H14Cl2N4O4 — CID 91833337

IUPAC2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide
SMILESCOCc1noc(CNC(=O)CNC(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C14H14Cl2N4O4/c1-23-7-11-19-13(24-20-11)6-17-12(21)5-18-14(22)9-4-8(15)2-3-10(9)16/h2-4H,5-7H2,1H3,(H,17,21)(H,18,22)
InChIKeyNKPKBIPOLVKDFO-UHFFFAOYSA-N
MW373.20 g/mol
LogP1.57
Rot. Bonds7

About 2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide

2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide (PubChem CID 91833337) has the molecular formula C14H14Cl2N4O4 and a molecular weight of 373.20 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide
PubChem CID91833337
Molecular FormulaC14H14Cl2N4O4
Molecular Weight373.20 g/mol
Exact Mass372.04
IUPAC Name2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide
SMILESCOCc1noc(CNC(=O)CNC(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C14H14Cl2N4O4/c1-23-7-11-19-13(24-20-11)6-17-12(21)5-18-14(22)9-4-8(15)2-3-10(9)16/h2-4H,5-7H2,1H3,(H,17,21)(H,18,22)
InChIKeyNKPKBIPOLVKDFO-UHFFFAOYSA-N
XLogP1.57
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

methyl 3-hydroxy-5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]benzoate
CID 122572331
[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]methylboronic acid
CID 142284164
2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 122556066
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 122562885
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72932689
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 70752728
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 91770853
5-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-nitrobenzamide
CID 61053482
2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728420
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]urea
CID 72908101
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzamide
CID 4970836
2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 46415948

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide (CID 91833337) is 2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide is COCc1noc(CNC(=O)CNC(=O)c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide?
The InChIKey is NKPKBIPOLVKDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O4/c1-23-7-11-19-13(24-20-11)6-17-12(21)5-18-14(22)9-4-8(15)2-3-10(9)16/h2-4H,5-7H2,1H3,(H,17,21)(H,18,22).
What are the key properties of 2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide?
2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide has a molecular weight of 373.20 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 91833337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).