N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylmethoxyacetamide

C19H21N3O4 — CID 83272633

IUPACN-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylmethoxyacetamide
SMILESCC(C)C(NC(=O)COCc1ccccc1)c1nc(-c2ccco2)no1
InChIInChI=1S/C19H21N3O4/c1-13(2)17(19-21-18(22-26-19)15-9-6-10-25-15)20-16(23)12-24-11-14-7-4-3-5-8-14/h3-10,13,17H,11-12H2,1-2H3,(H,20,23)
InChIKeyGYEKVPABHWEEOJ-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.36
Rot. Bonds8

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

N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylmethoxyacetamide (PubChem CID 83272633) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylmethoxyacetamide
PubChem CID83272633
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylmethoxyacetamide
SMILESCC(C)C(NC(=O)COCc1ccccc1)c1nc(-c2ccco2)no1
InChIInChI=1S/C19H21N3O4/c1-13(2)17(19-21-18(22-26-19)15-9-6-10-25-15)20-16(23)12-24-11-14-7-4-3-5-8-14/h3-10,13,17H,11-12H2,1-2H3,(H,20,23)
InChIKeyGYEKVPABHWEEOJ-UHFFFAOYSA-N
XLogP3.36
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide
CID 83273049
N-[(1R,2S)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-2-phenylmethoxyacetamide
CID 98370312
N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide
CID 83277387
2-(4-chlorophenoxy)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 83279735
N-butan-2-yl-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide
CID 17254268
N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-(trifluoromethyl)benzamide
CID 83273053
N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 98234869
N-[(1S)-1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxyacetamide;hydrochloride
CID 120892494
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenylmethoxyacetamide
CID 42797778
N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 95083510
N-[1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 71921726
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylacetamide
CID 120860986

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylmethoxyacetamide (CID 83272633) is N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylmethoxyacetamide is CC(C)C(NC(=O)COCc1ccccc1)c1nc(-c2ccco2)no1.
What is the InChIKey of N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylmethoxyacetamide?
The InChIKey is GYEKVPABHWEEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13(2)17(19-21-18(22-26-19)15-9-6-10-25-15)20-16(23)12-24-11-14-7-4-3-5-8-14/h3-10,13,17H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylmethoxyacetamide?
N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylmethoxyacetamide has a molecular weight of 355.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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-methylpropyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 83272633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).