N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxy-2-propan-2-yloxybenzamide

C21H29N3O4 — CID 154862506

IUPACN-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxy-2-propan-2-yloxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2nc(C3CCCCC3)no2)c(OC(C)C)c1
InChIInChI=1S/C21H29N3O4/c1-13(2)27-18-12-16(26-4)10-11-17(18)20(25)22-14(3)21-23-19(24-28-21)15-8-6-5-7-9-15/h10-15H,5-9H2,1-4H3,(H,22,25)
InChIKeyWKVMNAZDKJBIAY-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.40
Rot. Bonds7

About N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxy-2-propan-2-yloxybenzamide

N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxy-2-propan-2-yloxybenzamide (PubChem CID 154862506) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxy-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxy-2-propan-2-yloxybenzamide
PubChem CID154862506
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC NameN-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxy-2-propan-2-yloxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2nc(C3CCCCC3)no2)c(OC(C)C)c1
InChIInChI=1S/C21H29N3O4/c1-13(2)27-18-12-16(26-4)10-11-17(18)20(25)22-14(3)21-23-19(24-28-21)15-8-6-5-7-9-15/h10-15H,5-9H2,1-4H3,(H,22,25)
InChIKeyWKVMNAZDKJBIAY-UHFFFAOYSA-N
XLogP4.40
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxy-2-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 96517904
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 119817384
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119817375
5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 126778226
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111540799
1-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 96520156
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 119817400
1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethoxy]-2-fluorophenyl]ethanone
CID 95781661
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 7449585
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 125439668
N-[(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 96517898
N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 96517899

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxy-2-propan-2-yloxybenzamide?
The IUPAC name of N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxy-2-propan-2-yloxybenzamide (CID 154862506) is N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxy-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxy-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxy-2-propan-2-yloxybenzamide is COc1ccc(C(=O)NC(C)c2nc(C3CCCCC3)no2)c(OC(C)C)c1.
What is the InChIKey of N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxy-2-propan-2-yloxybenzamide?
The InChIKey is WKVMNAZDKJBIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-13(2)27-18-12-16(26-4)10-11-17(18)20(25)22-14(3)21-23-19(24-28-21)15-8-6-5-7-9-15/h10-15H,5-9H2,1-4H3,(H,22,25).
What are the key properties of N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxy-2-propan-2-yloxybenzamide?
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxy-2-propan-2-yloxybenzamide has a molecular weight of 387.48 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxy-2-propan-2-yloxybenzamide is sourced from PubChem (CID 154862506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).