N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

C14H23N3O3 — CID 71986004

IUPACN-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOC1(C)CC(NC(=O)CCc2nc(C)no2)C1(C)C
InChIInChI=1S/C14H23N3O3/c1-9-15-12(20-17-9)7-6-11(18)16-10-8-14(4,19-5)13(10,2)3/h10H,6-8H2,1-5H3,(H,16,18)
InChIKeyAHDWWHJHMNLDTH-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.63
Rot. Bonds5

About N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 71986004) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID71986004
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOC1(C)CC(NC(=O)CCc2nc(C)no2)C1(C)C
InChIInChI=1S/C14H23N3O3/c1-9-15-12(20-17-9)7-6-11(18)16-10-8-14(4,19-5)13(10,2)3/h10H,6-8H2,1-5H3,(H,16,18)
InChIKeyAHDWWHJHMNLDTH-UHFFFAOYSA-N
XLogP1.63
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (CID 71986004) is N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is COC1(C)CC(NC(=O)CCc2nc(C)no2)C1(C)C.
What is the InChIKey of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is AHDWWHJHMNLDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9-15-12(20-17-9)7-6-11(18)16-10-8-14(4,19-5)13(10,2)3/h10H,6-8H2,1-5H3,(H,16,18).
What are the key properties of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 281.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 71986004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).