2-(4-chloro-2-methylphenoxy)-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide

C17H20ClN3O4 — CID 99928923

IUPAC2-(4-chloro-2-methylphenoxy)-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCCc1noc([C@@H]2CCCO2)n1
InChIInChI=1S/C17H20ClN3O4/c1-11-9-12(18)4-5-13(11)24-10-16(22)19-7-6-15-20-17(25-21-15)14-3-2-8-23-14/h4-5,9,14H,2-3,6-8,10H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyWDDDCXYRXGMFLR-AWEZNQCLSA-N
MW365.82 g/mol
LogP2.62
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide (PubChem CID 99928923) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide
PubChem CID99928923
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCCc1noc([C@@H]2CCCO2)n1
InChIInChI=1S/C17H20ClN3O4/c1-11-9-12(18)4-5-13(11)24-10-16(22)19-7-6-15-20-17(25-21-15)14-3-2-8-23-14/h4-5,9,14H,2-3,6-8,10H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyWDDDCXYRXGMFLR-AWEZNQCLSA-N
XLogP2.62
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 126434875
1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 97286117
N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 99935155
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 99935158
(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide
CID 774185
N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-cyclohexyl-1,2,4-oxadiazole-5-carboxamide
CID 17083461
2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 77092880
3-hydroxy-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyridine-2-carboxamide
CID 99933303
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872
3-(2-methylbenzimidazol-1-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide
CID 99974647
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 97271844
4-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)butanamide
CID 2862808

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide (CID 99928923) is 2-(4-chloro-2-methylphenoxy)-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)NCCc1noc([C@@H]2CCCO2)n1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The InChIKey is WDDDCXYRXGMFLR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20ClN3O4/c1-11-9-12(18)4-5-13(11)24-10-16(22)19-7-6-15-20-17(25-21-15)14-3-2-8-23-14/h4-5,9,14H,2-3,6-8,10H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide has a molecular weight of 365.82 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide is sourced from PubChem (CID 99928923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).