N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-3-(4-methylphenyl)propanamide

C21H29N3O2 — CID 110311105

IUPACN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-3-(4-methylphenyl)propanamide
SMILESCc1ccc(C(CC(=O)NCCc2noc(C(C)(C)C)n2)C2CC2)cc1
InChIInChI=1S/C21H29N3O2/c1-14-5-7-15(8-6-14)17(16-9-10-16)13-19(25)22-12-11-18-23-20(26-24-18)21(2,3)4/h5-8,16-17H,9-13H2,1-4H3,(H,22,25)
InChIKeyXRTLWIQOVAEAIR-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.92
Rot. Bonds7

About N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-3-(4-methylphenyl)propanamide

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-3-(4-methylphenyl)propanamide (PubChem CID 110311105) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-3-(4-methylphenyl)propanamide
PubChem CID110311105
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-3-(4-methylphenyl)propanamide
SMILESCc1ccc(C(CC(=O)NCCc2noc(C(C)(C)C)n2)C2CC2)cc1
InChIInChI=1S/C21H29N3O2/c1-14-5-7-15(8-6-14)17(16-9-10-16)13-19(25)22-12-11-18-23-20(26-24-18)21(2,3)4/h5-8,16-17H,9-13H2,1-4H3,(H,22,25)
InChIKeyXRTLWIQOVAEAIR-UHFFFAOYSA-N
XLogP3.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 110426976
3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110297316
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-ethylbutanamide
CID 110294284
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide
CID 110294289
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 166293475
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 110294366
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide
CID 110294288
3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110301493
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide
CID 110310845
3-cyclopropyl-3-(4-methylphenyl)-N-[2-(phenylsulfamoyl)ethyl]propanamide
CID 110615734
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 91917581
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110632676

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-3-(4-methylphenyl)propanamide (CID 110311105) is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-3-(4-methylphenyl)propanamide is Cc1ccc(C(CC(=O)NCCc2noc(C(C)(C)C)n2)C2CC2)cc1.
What is the InChIKey of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-3-(4-methylphenyl)propanamide?
The InChIKey is XRTLWIQOVAEAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-14-5-7-15(8-6-14)17(16-9-10-16)13-19(25)22-12-11-18-23-20(26-24-18)21(2,3)4/h5-8,16-17H,9-13H2,1-4H3,(H,22,25).
What are the key properties of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-3-(4-methylphenyl)propanamide?
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-3-(4-methylphenyl)propanamide has a molecular weight of 355.48 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 110311105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).