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

C17H16ClN3O3 — CID 36702512

IUPACN-[(2-chlorophenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCN(Cc1ccccc1Cl)C(=O)CCc1nc(-c2ccco2)no1
InChIInChI=1S/C17H16ClN3O3/c1-21(11-12-5-2-3-6-13(12)18)16(22)9-8-15-19-17(20-24-15)14-7-4-10-23-14/h2-7,10H,8-9,11H2,1H3
InChIKeyRDPTZMNUHAYZQK-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.57
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (PubChem CID 36702512) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
PubChem CID36702512
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCN(Cc1ccccc1Cl)C(=O)CCc1nc(-c2ccco2)no1
InChIInChI=1S/C17H16ClN3O3/c1-21(11-12-5-2-3-6-13(12)18)16(22)9-8-15-19-17(20-24-15)14-7-4-10-23-14/h2-7,10H,8-9,11H2,1H3
InChIKeyRDPTZMNUHAYZQK-UHFFFAOYSA-N
XLogP3.57
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 36746928
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 35701708
1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 138996722
N-(3-amino-4-methylpentyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
CID 119658647
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38769599
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-(1-aminopropan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
CID 119582562
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 70753269
N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18198217
methyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate
CID 55554526
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 36656689
N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36654595

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (CID 36702512) is N-[(2-chlorophenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide is CN(Cc1ccccc1Cl)C(=O)CCc1nc(-c2ccco2)no1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The InChIKey is RDPTZMNUHAYZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-21(11-12-5-2-3-6-13(12)18)16(22)9-8-15-19-17(20-24-15)14-7-4-10-23-14/h2-7,10H,8-9,11H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
N-[(2-chlorophenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide has a molecular weight of 345.79 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide is sourced from PubChem (CID 36702512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).