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

C21H20ClN5O4 — CID 55555280

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CCc1nc(-c2ccco2)no1
InChIInChI=1S/C21H20ClN5O4/c1-2-11-27(13-18-24-25-21(30-18)14-6-3-4-7-15(14)22)19(28)10-9-17-23-20(26-31-17)16-8-5-12-29-16/h3-8,12H,2,9-11,13H2,1H3
InChIKeyCQNUVYUUCSGLAM-UHFFFAOYSA-N
MW441.88 g/mol
LogP4.40
Rot. Bonds9

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide (PubChem CID 55555280) has the molecular formula C21H20ClN5O4 and a molecular weight of 441.88 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
PubChem CID55555280
Molecular FormulaC21H20ClN5O4
Molecular Weight441.88 g/mol
Exact Mass441.12
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CCc1nc(-c2ccco2)no1
InChIInChI=1S/C21H20ClN5O4/c1-2-11-27(13-18-24-25-21(30-18)14-6-3-4-7-15(14)22)19(28)10-9-17-23-20(26-31-17)16-8-5-12-29-16/h3-8,12H,2,9-11,13H2,1H3
InChIKeyCQNUVYUUCSGLAM-UHFFFAOYSA-N
XLogP4.40
TPSA111.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.88
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 36702512
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-nitrophenyl)-N-propylacetamide
CID 55361092
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 134021234
methyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate
CID 55554526
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide
CID 55394988
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,2-diphenyl-N-propylacetamide
CID 55361278
2-(4-bromophenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide
CID 55361069
2-[(4-chlorophenyl)methylsulfanyl]-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide
CID 55361355
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 55361279
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide
CID 83277422
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propylacetamide
CID 55361158
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylthiophene-2-carboxamide
CID 78788619

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide?
The IUPAC name of 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) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CCc1nc(-c2ccco2)no1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide?
The InChIKey is CQNUVYUUCSGLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O4/c1-2-11-27(13-18-24-25-21(30-18)14-6-3-4-7-15(14)22)19(28)10-9-17-23-20(26-31-17)16-8-5-12-29-16/h3-8,12H,2,9-11,13H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide has a molecular weight of 441.88 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide is sourced from PubChem (CID 55555280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).