N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide

C19H22N4O2 — CID 90649458

IUPACN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCCc1nc(C2CC2)no1
InChIInChI=1S/C19H22N4O2/c24-17(20-11-10-18-22-19(23-25-18)13-8-9-13)7-3-4-14-12-21-16-6-2-1-5-15(14)16/h1-2,5-6,12-13,21H,3-4,7-11H2,(H,20,24)
InChIKeyGYWGFMAKNGUONL-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.11
Rot. Bonds8

About N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 90649458) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide
PubChem CID90649458
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCCc1nc(C2CC2)no1
InChIInChI=1S/C19H22N4O2/c24-17(20-11-10-18-22-19(23-25-18)13-8-9-13)7-3-4-14-12-21-16-6-2-1-5-15(14)16/h1-2,5-6,12-13,21H,3-4,7-11H2,(H,20,24)
InChIKeyGYWGFMAKNGUONL-UHFFFAOYSA-N
XLogP3.11
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
4-(1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 91794074
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757
3-(1H-indol-3-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide
CID 99945911
N-(2-cyclopropylpropyl)-4-(1H-indol-3-yl)butanamide
CID 115591193

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide (CID 90649458) is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide is O=C(CCCc1c[nH]c2ccccc12)NCCc1nc(C2CC2)no1.
What is the InChIKey of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is GYWGFMAKNGUONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-17(20-11-10-18-22-19(23-25-18)13-8-9-13)7-3-4-14-12-21-16-6-2-1-5-15(14)16/h1-2,5-6,12-13,21H,3-4,7-11H2,(H,20,24).
What are the key properties of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 338.41 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 90649458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).