N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]cyclobutanecarboxamide

C18H23N3O2 — CID 42808996

IUPACN-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]cyclobutanecarboxamide
SMILESCCC(C)C(NC(=O)C1CCC1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H23N3O2/c1-3-12(2)15(19-17(22)14-10-7-11-14)18-20-16(21-23-18)13-8-5-4-6-9-13/h4-6,8-9,12,14-15H,3,7,10-11H2,1-2H3,(H,19,22)
InChIKeyGCXNPJCNXTUURH-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.74
Rot. Bonds6

About N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]cyclobutanecarboxamide

N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]cyclobutanecarboxamide (PubChem CID 42808996) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]cyclobutanecarboxamide
PubChem CID42808996
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]cyclobutanecarboxamide
SMILESCCC(C)C(NC(=O)C1CCC1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H23N3O2/c1-3-12(2)15(19-17(22)14-10-7-11-14)18-20-16(21-23-18)13-8-5-4-6-9-13/h4-6,8-9,12,14-15H,3,7,10-11H2,1-2H3,(H,19,22)
InChIKeyGCXNPJCNXTUURH-UHFFFAOYSA-N
XLogP3.74
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexanecarboxamide
CID 6458644
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 91635790
2-chloro-N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butyl]benzamide
CID 83288742
N-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 91635714
2-chloro-N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]benzamide
CID 91635121
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 7449585
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide
CID 83280875
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 83280920
N-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 120893433
(E)-N-[(1R,2S)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylprop-2-enamide
CID 98370304
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 46128965
N-[(1R,2S)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-2-phenylmethoxyacetamide
CID 98370312

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]cyclobutanecarboxamide (CID 42808996) is N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]cyclobutanecarboxamide is CCC(C)C(NC(=O)C1CCC1)c1nc(-c2ccccc2)no1.
What is the InChIKey of N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]cyclobutanecarboxamide?
The InChIKey is GCXNPJCNXTUURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-12(2)15(19-17(22)14-10-7-11-14)18-20-16(21-23-18)13-8-5-4-6-9-13/h4-6,8-9,12,14-15H,3,7,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]cyclobutanecarboxamide?
N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]cyclobutanecarboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]cyclobutanecarboxamide is sourced from PubChem (CID 42808996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).