N-cyclohexyl-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C19H25N3O3 — CID 2988953

IUPACN-cyclohexyl-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCOc1ccccc1-c1noc(CCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C19H25N3O3/c1-2-24-16-11-7-6-10-15(16)19-21-18(25-22-19)13-12-17(23)20-14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,20,23)
InChIKeyWGHUSTBQRCKYEY-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.52
Rot. Bonds7

About N-cyclohexyl-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-cyclohexyl-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 2988953) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-cyclohexyl-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID2988953
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-cyclohexyl-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCOc1ccccc1-c1noc(CCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C19H25N3O3/c1-2-24-16-11-7-6-10-15(16)19-21-18(25-22-19)13-12-17(23)20-14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,20,23)
InChIKeyWGHUSTBQRCKYEY-UHFFFAOYSA-N
XLogP3.52
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 866890
4-[3-(2-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(morpholin-4-yl)butan-1-one
CID 1836481
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)propanamide
CID 1839545
N-cyclopentyl-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 1848627
3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 2020010
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 3159490
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 3710985
N-ethyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 5213518
N-cyclopropyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 15992673
2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2987737
(E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512034
(E)-2-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512036

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 2988953) is N-cyclohexyl-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCOc1ccccc1-c1noc(CCC(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is WGHUSTBQRCKYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-2-24-16-11-7-6-10-15(16)19-21-18(25-22-19)13-12-17(23)20-14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,20,23).
What are the key properties of N-cyclohexyl-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-cyclohexyl-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 2988953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).