N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide

C19H21N3O3 — CID 83277387

IUPACN-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide
SMILESCCC(C)C(NC(=O)c1ccc(C)cc1)c1nc(-c2ccco2)no1
InChIInChI=1S/C19H21N3O3/c1-4-13(3)16(20-18(23)14-9-7-12(2)8-10-14)19-21-17(22-25-19)15-6-5-11-24-15/h5-11,13,16H,4H2,1-3H3,(H,20,23)
InChIKeyQKQQZBHCKPQKSV-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.16
Rot. Bonds6

About N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide

N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide (PubChem CID 83277387) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide
PubChem CID83277387
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide
SMILESCCC(C)C(NC(=O)c1ccc(C)cc1)c1nc(-c2ccco2)no1
InChIInChI=1S/C19H21N3O3/c1-4-13(3)16(20-18(23)14-9-7-12(2)8-10-14)19-21-17(22-25-19)15-6-5-11-24-15/h5-11,13,16H,4H2,1-3H3,(H,20,23)
InChIKeyQKQQZBHCKPQKSV-UHFFFAOYSA-N
XLogP4.16
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-(trifluoromethyl)benzamide
CID 83273053
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide
CID 83288304
N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide
CID 83273049
N-[(1R,2S)-2-methyl-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butyl]furan-2-carboxamide
CID 98370359
2-chloro-N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butyl]benzamide
CID 83288742
N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide
CID 91635492
4-methoxy-N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]benzamide
CID 93117452
N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740
N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 95083510
N-[(1S,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]furan-2-carboxamide
CID 93071124
5-(1-bromopropyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 62854734
N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylmethoxyacetamide
CID 83272633

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide?
The IUPAC name of N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide (CID 83277387) is N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide?
The canonical SMILES for N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide is CCC(C)C(NC(=O)c1ccc(C)cc1)c1nc(-c2ccco2)no1.
What is the InChIKey of N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide?
The InChIKey is QKQQZBHCKPQKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-13(3)16(20-18(23)14-9-7-12(2)8-10-14)19-21-17(22-25-19)15-6-5-11-24-15/h5-11,13,16H,4H2,1-3H3,(H,20,23).
What are the key properties of N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide?
N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide has a molecular weight of 339.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide is sourced from PubChem (CID 83277387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).