N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-cyclopentyl-N-propan-2-ylpropanamide

C20H26ClN3O2 — CID 2506246

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-cyclopentyl-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCC1CCCC1
InChIInChI=1S/C20H26ClN3O2/c1-14(2)24(19(25)12-7-15-5-3-4-6-15)13-18-22-20(23-26-18)16-8-10-17(21)11-9-16/h8-11,14-15H,3-7,12-13H2,1-2H3
InChIKeyJHUQTSSHKCFBMA-UHFFFAOYSA-N
MW375.90 g/mol
LogP5.10
Rot. Bonds7

About N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-cyclopentyl-N-propan-2-ylpropanamide

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-cyclopentyl-N-propan-2-ylpropanamide (PubChem CID 2506246) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-cyclopentyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-cyclopentyl-N-propan-2-ylpropanamide
PubChem CID2506246
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-cyclopentyl-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCC1CCCC1
InChIInChI=1S/C20H26ClN3O2/c1-14(2)24(19(25)12-7-15-5-3-4-6-15)13-18-22-20(23-26-18)16-8-10-17(21)11-9-16/h8-11,14-15H,3-7,12-13H2,1-2H3
InChIKeyJHUQTSSHKCFBMA-UHFFFAOYSA-N
XLogP5.10
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-cyclopentyl-N-propan-2-ylpropanamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-cyclopentyl-N-propan-2-ylpropanamide (CID 2506246) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-cyclopentyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-cyclopentyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-cyclopentyl-N-propan-2-ylpropanamide is CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCC1CCCC1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-cyclopentyl-N-propan-2-ylpropanamide?
The InChIKey is JHUQTSSHKCFBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-14(2)24(19(25)12-7-15-5-3-4-6-15)13-18-22-20(23-26-18)16-8-10-17(21)11-9-16/h8-11,14-15H,3-7,12-13H2,1-2H3.
What are the key properties of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-cyclopentyl-N-propan-2-ylpropanamide?
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-cyclopentyl-N-propan-2-ylpropanamide has a molecular weight of 375.90 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-cyclopentyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 2506246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).