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

C23H20ClN3O3 — CID 46288611

IUPAC2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(furan-2-yl)propyl]-N-methylbenzamide
SMILESCN(CCCc1ccco1)C(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C23H20ClN3O3/c1-27(14-4-6-18-7-5-15-29-18)23(28)20-9-3-2-8-19(20)22-25-21(26-30-22)16-10-12-17(24)13-11-16/h2-3,5,7-13,15H,4,6,14H2,1H3
InChIKeyKTLRUJHIQRVCKL-UHFFFAOYSA-N
MW421.88 g/mol
LogP5.35
Rot. Bonds7

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

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(furan-2-yl)propyl]-N-methylbenzamide (PubChem CID 46288611) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(furan-2-yl)propyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(furan-2-yl)propyl]-N-methylbenzamide
PubChem CID46288611
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC Name2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(furan-2-yl)propyl]-N-methylbenzamide
SMILESCN(CCCc1ccco1)C(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C23H20ClN3O3/c1-27(14-4-6-18-7-5-15-29-18)23(28)20-9-3-2-8-19(20)22-25-21(26-30-22)16-10-12-17(24)13-11-16/h2-3,5,7-13,15H,4,6,14H2,1H3
InChIKeyKTLRUJHIQRVCKL-UHFFFAOYSA-N
XLogP5.35
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.88
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide
CID 92865777
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide
CID 8835627
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-1-(3-phenylpropyl)urea
CID 166186451
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 4897487
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide
CID 46288609
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-methylsulfanylbenzamide
CID 7709412
2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055628
2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 17499300
[2-[3-(3-amino-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-chlorophenyl)methanone
CID 19330668
N,N-dimethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3800118
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 50759779
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-cyanophenyl)benzamide
CID 46288596

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(furan-2-yl)propyl]-N-methylbenzamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(furan-2-yl)propyl]-N-methylbenzamide (CID 46288611) is 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(furan-2-yl)propyl]-N-methylbenzamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(furan-2-yl)propyl]-N-methylbenzamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(furan-2-yl)propyl]-N-methylbenzamide is CN(CCCc1ccco1)C(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(furan-2-yl)propyl]-N-methylbenzamide?
The InChIKey is KTLRUJHIQRVCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-27(14-4-6-18-7-5-15-29-18)23(28)20-9-3-2-8-19(20)22-25-21(26-30-22)16-10-12-17(24)13-11-16/h2-3,5,7-13,15H,4,6,14H2,1H3.
What are the key properties of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(furan-2-yl)propyl]-N-methylbenzamide?
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(furan-2-yl)propyl]-N-methylbenzamide has a molecular weight of 421.88 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(furan-2-yl)propyl]-N-methylbenzamide is sourced from PubChem (CID 46288611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).