N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide

C19H21N3O3 — CID 83277422

IUPACN-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide
SMILESCCCN(CCc1nc(-c2ccco2)no1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21N3O3/c1-3-11-22(19(23)15-8-6-14(2)7-9-15)12-10-17-20-18(21-25-17)16-5-4-13-24-16/h4-9,13H,3,10-12H2,1-2H3
InChIKeyDNQAAYMWXQEVTG-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.73
Rot. Bonds7

About N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide

N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide (PubChem CID 83277422) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide
PubChem CID83277422
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide
SMILESCCCN(CCc1nc(-c2ccco2)no1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21N3O3/c1-3-11-22(19(23)15-8-6-14(2)7-9-15)12-10-17-20-18(21-25-17)16-5-4-13-24-16/h4-9,13H,3,10-12H2,1-2H3
InChIKeyDNQAAYMWXQEVTG-UHFFFAOYSA-N
XLogP3.73
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propylbenzamide
CID 91635629
(E)-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenyl-N-propylprop-2-enamide
CID 83273342
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 83277431
4-methyl-N-(2-methylpropyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 42808968
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-butylfuran-2-carboxamide
CID 83273296
benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide
CID 144812222
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 42809096
N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83288859
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 55555280
N-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)benzamide
CID 83277255
4-methyl-N-(2-methylpropyl)-N-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83288824

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide?
The IUPAC name of N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide (CID 83277422) is N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide.
What is the SMILES notation for N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide?
The canonical SMILES for N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide is CCCN(CCc1nc(-c2ccco2)no1)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide?
The InChIKey is DNQAAYMWXQEVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-11-22(19(23)15-8-6-14(2)7-9-15)12-10-17-20-18(21-25-17)16-5-4-13-24-16/h4-9,13H,3,10-12H2,1-2H3.
What are the key properties of N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide?
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide has a molecular weight of 339.40 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide is sourced from PubChem (CID 83277422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).