N-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide

C18H21N3O4 — CID 56801279

IUPACN-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCN(C(=O)COc1ccc(-c2noc(C3CCCO3)n2)cc1)C1CC1
InChIInChI=1S/C18H21N3O4/c1-21(13-6-7-13)16(22)11-24-14-8-4-12(5-9-14)17-19-18(25-20-17)15-3-2-10-23-15/h4-5,8-9,13,15H,2-3,6-7,10-11H2,1H3
InChIKeyRRWCUWOBXJBCQJ-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.59
Rot. Bonds6

About N-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide

N-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (PubChem CID 56801279) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
PubChem CID56801279
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCN(C(=O)COc1ccc(-c2noc(C3CCCO3)n2)cc1)C1CC1
InChIInChI=1S/C18H21N3O4/c1-21(13-6-7-13)16(22)11-24-14-8-4-12(5-9-14)17-19-18(25-20-17)15-3-2-10-23-15/h4-5,8-9,13,15H,2-3,6-7,10-11H2,1H3
InChIKeyRRWCUWOBXJBCQJ-UHFFFAOYSA-N
XLogP2.59
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide with MolForge

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Related Compounds

3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 95314954
3-[4-(oxiran-2-ylmethoxy)phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 146098585
methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate
CID 129370564
3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 154879901
3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 124505405
5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95953302
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
3-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 133294645
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 39819010
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 55602823
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The IUPAC name of N-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (CID 56801279) is N-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The canonical SMILES for N-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is CN(C(=O)COc1ccc(-c2noc(C3CCCO3)n2)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The InChIKey is RRWCUWOBXJBCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-21(13-6-7-13)16(22)11-24-14-8-4-12(5-9-14)17-19-18(25-20-17)15-3-2-10-23-15/h4-5,8-9,13,15H,2-3,6-7,10-11H2,1H3.
What are the key properties of N-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
N-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide has a molecular weight of 343.38 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is sourced from PubChem (CID 56801279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).