3-[3-[[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide

C23H33ClN6O4 — CID 20918477

IUPAC3-[3-[[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide
SMILESCN(C(=O)CCc1nc(CN2CCN(C(=O)CCc3cc(Cl)no3)CC2)no1)C1CCCCC1
InChIInChI=1S/C23H33ClN6O4/c1-28(17-5-3-2-4-6-17)22(31)10-8-21-25-20(27-34-21)16-29-11-13-30(14-12-29)23(32)9-7-18-15-19(24)26-33-18/h15,17H,2-14,16H2,1H3
InChIKeyPGLOAARYJSOMMW-UHFFFAOYSA-N
MW493.01 g/mol
LogP2.71
Rot. Bonds9

About 3-[3-[[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide

3-[3-[[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide (PubChem CID 20918477) has the molecular formula C23H33ClN6O4 and a molecular weight of 493.01 g/mol. Its IUPAC name is 3-[3-[[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-[[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide
PubChem CID20918477
Molecular FormulaC23H33ClN6O4
Molecular Weight493.01 g/mol
Exact Mass492.23
IUPAC Name3-[3-[[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide
SMILESCN(C(=O)CCc1nc(CN2CCN(C(=O)CCc3cc(Cl)no3)CC2)no1)C1CCCCC1
InChIInChI=1S/C23H33ClN6O4/c1-28(17-5-3-2-4-6-17)22(31)10-8-21-25-20(27-34-21)16-29-11-13-30(14-12-29)23(32)9-7-18-15-19(24)26-33-18/h15,17H,2-14,16H2,1H3
InChIKeyPGLOAARYJSOMMW-UHFFFAOYSA-N
XLogP2.71
TPSA108.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.01
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide?
The IUPAC name of 3-[3-[[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide (CID 20918477) is 3-[3-[[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide.
What is the SMILES notation for 3-[3-[[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide?
The canonical SMILES for 3-[3-[[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide is CN(C(=O)CCc1nc(CN2CCN(C(=O)CCc3cc(Cl)no3)CC2)no1)C1CCCCC1.
What is the InChIKey of 3-[3-[[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide?
The InChIKey is PGLOAARYJSOMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClN6O4/c1-28(17-5-3-2-4-6-17)22(31)10-8-21-25-20(27-34-21)16-29-11-13-30(14-12-29)23(32)9-7-18-15-19(24)26-33-18/h15,17H,2-14,16H2,1H3.
What are the key properties of 3-[3-[[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide?
3-[3-[[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide has a molecular weight of 493.01 g/mol, XLogP of 2.71, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide is sourced from PubChem (CID 20918477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).