2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide

C14H15Cl2N3O3 — CID 96523969

IUPAC2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCCO[C@@H](C)c1noc(CNC(=O)c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C14H15Cl2N3O3/c1-3-21-8(2)13-18-11(22-19-13)7-17-14(20)12-9(15)5-4-6-10(12)16/h4-6,8H,3,7H2,1-2H3,(H,17,20)/t8-/m0/s1
InChIKeyLSRMHCQKIUUAML-QMMMGPOBSA-N
MW344.20 g/mol
LogP3.40
Rot. Bonds6

About 2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide

2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 96523969) has the molecular formula C14H15Cl2N3O3 and a molecular weight of 344.20 g/mol. Its IUPAC name is 2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID96523969
Molecular FormulaC14H15Cl2N3O3
Molecular Weight344.20 g/mol
Exact Mass343.05
IUPAC Name2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCCO[C@@H](C)c1noc(CNC(=O)c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C14H15Cl2N3O3/c1-3-21-8(2)13-18-11(22-19-13)7-17-14(20)12-9(15)5-4-6-10(12)16/h4-6,8H,3,7H2,1-2H3,(H,17,20)/t8-/m0/s1
InChIKeyLSRMHCQKIUUAML-QMMMGPOBSA-N
XLogP3.40
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 95985146
1-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea
CID 97157377
2,6-dichloro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8875106
(3S)-N-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 97324930
1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111513626
2,6-dichloro-N-(2,2-diethoxyethyl)benzamide
CID 79547463
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 64539019
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111511387
5-bromo-N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine
CID 71995955
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]urea
CID 95975973
1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111511704
1-butan-2-yl-3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylguanidine;hydroiodide
CID 111492117

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 96523969) is 2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide is CCO[C@@H](C)c1noc(CNC(=O)c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is LSRMHCQKIUUAML-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H15Cl2N3O3/c1-3-21-8(2)13-18-11(22-19-13)7-17-14(20)12-9(15)5-4-6-10(12)16/h4-6,8H,3,7H2,1-2H3,(H,17,20)/t8-/m0/s1.
What are the key properties of 2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 344.20 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 96523969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).