N-(5-chloro-2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide

C19H18ClN5O3 — CID 9371265

IUPACN-(5-chloro-2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1C#N)Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C19H18ClN5O3/c1-2-7-25(12-18-23-24-19(28-18)16-4-3-8-27-16)11-17(26)22-15-9-14(20)6-5-13(15)10-21/h3-6,8-9H,2,7,11-12H2,1H3,(H,22,26)
InChIKeyXNTIOWDRVLGCPG-UHFFFAOYSA-N
MW399.84 g/mol
LogP3.71
Rot. Bonds8

About N-(5-chloro-2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide

N-(5-chloro-2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide (PubChem CID 9371265) has the molecular formula C19H18ClN5O3 and a molecular weight of 399.84 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
PubChem CID9371265
Molecular FormulaC19H18ClN5O3
Molecular Weight399.84 g/mol
Exact Mass399.11
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1C#N)Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C19H18ClN5O3/c1-2-7-25(12-18-23-24-19(28-18)16-4-3-8-27-16)11-17(26)22-15-9-14(20)6-5-13(15)10-21/h3-6,8-9H,2,7,11-12H2,1H3,(H,22,26)
InChIKeyXNTIOWDRVLGCPG-UHFFFAOYSA-N
XLogP3.71
TPSA108.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-difluorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371766
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-nitrophenyl)acetamide
CID 9371658
N-(4-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371601
N-(3,5-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371354
N-(3,4-dimethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371528
ethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate
CID 9371489
N-(4-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371596
N-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371333
N-(5-chloro-2-fluorophenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 9372262
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(propylcarbamoyl)acetamide
CID 9370842
2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]-N-propylacetamide
CID 8689520
2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]benzonitrile
CID 8689347

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide (CID 9371265) is N-(5-chloro-2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide is CCCN(CC(=O)Nc1cc(Cl)ccc1C#N)Cc1nnc(-c2ccco2)o1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide?
The InChIKey is XNTIOWDRVLGCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O3/c1-2-7-25(12-18-23-24-19(28-18)16-4-3-8-27-16)11-17(26)22-15-9-14(20)6-5-13(15)10-21/h3-6,8-9H,2,7,11-12H2,1H3,(H,22,26).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide?
N-(5-chloro-2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide has a molecular weight of 399.84 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide is sourced from PubChem (CID 9371265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).