N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

C22H28FN3O2 — CID 55593598

IUPACN-cyclopropyl-N-(4-ethylcyclohexyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCC1CCC(N(C(=O)CCc2nc(-c3ccc(F)cc3)no2)C2CC2)CC1
InChIInChI=1S/C22H28FN3O2/c1-2-15-3-9-18(10-4-15)26(19-11-12-19)21(27)14-13-20-24-22(25-28-20)16-5-7-17(23)8-6-16/h5-8,15,18-19H,2-4,9-14H2,1H3
InChIKeyAFMZXKKOXRHCGB-UHFFFAOYSA-N
MW385.48 g/mol
LogP4.77
Rot. Bonds7

About N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 55593598) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-ethylcyclohexyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID55593598
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC NameN-cyclopropyl-N-(4-ethylcyclohexyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCC1CCC(N(C(=O)CCc2nc(-c3ccc(F)cc3)no2)C2CC2)CC1
InChIInChI=1S/C22H28FN3O2/c1-2-15-3-9-18(10-4-15)26(19-11-12-19)21(27)14-13-20-24-22(25-28-20)16-5-7-17(23)8-6-16/h5-8,15,18-19H,2-4,9-14H2,1H3
InChIKeyAFMZXKKOXRHCGB-UHFFFAOYSA-N
XLogP4.77
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide
CID 51082586
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 27256344
2-[cyclopropyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid
CID 119195233
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16566675
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 27661448
N-(3-ethoxypropyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 94882682
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78853591
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 9225773
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 134012563
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide
CID 46587836
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide
CID 9293283
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide
CID 119825840

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 55593598) is N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCC1CCC(N(C(=O)CCc2nc(-c3ccc(F)cc3)no2)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is AFMZXKKOXRHCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-2-15-3-9-18(10-4-15)26(19-11-12-19)21(27)14-13-20-24-22(25-28-20)16-5-7-17(23)8-6-16/h5-8,15,18-19H,2-4,9-14H2,1H3.
What are the key properties of N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 385.48 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 55593598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).