N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide

C18H23N5O3S — CID 31164127

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1nc(C2(NC(=O)Cc3csc(N4CCCC4=O)n3)CCCCC2)no1
InChIInChI=1S/C18H23N5O3S/c1-12-19-16(22-26-12)18(7-3-2-4-8-18)21-14(24)10-13-11-27-17(20-13)23-9-5-6-15(23)25/h11H,2-10H2,1H3,(H,21,24)
InChIKeyZMJAVRXHMGDFFP-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.48
Rot. Bonds5

About N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 31164127) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID31164127
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1nc(C2(NC(=O)Cc3csc(N4CCCC4=O)n3)CCCCC2)no1
InChIInChI=1S/C18H23N5O3S/c1-12-19-16(22-26-12)18(7-3-2-4-8-18)21-14(24)10-13-11-27-17(20-13)23-9-5-6-15(23)25/h11H,2-10H2,1H3,(H,21,24)
InChIKeyZMJAVRXHMGDFFP-UHFFFAOYSA-N
XLogP2.48
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (CID 31164127) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is Cc1nc(C2(NC(=O)Cc3csc(N4CCCC4=O)n3)CCCCC2)no1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is ZMJAVRXHMGDFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-12-19-16(22-26-12)18(7-3-2-4-8-18)21-14(24)10-13-11-27-17(20-13)23-9-5-6-15(23)25/h11H,2-10H2,1H3,(H,21,24).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 389.48 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 31164127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).