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

C17H24N4O2S — CID 136515591

IUPACN-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NC(C)c2nc(C3CCCCC3)no2)c(C)s1
InChIInChI=1S/C17H24N4O2S/c1-10(18-15(22)9-14-11(2)24-12(3)19-14)17-20-16(21-23-17)13-7-5-4-6-8-13/h10,13H,4-9H2,1-3H3,(H,18,22)
InChIKeyLOYVLADNEKMYCR-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.61
Rot. Bonds5

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

N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide (PubChem CID 136515591) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
PubChem CID136515591
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NC(C)c2nc(C3CCCCC3)no2)c(C)s1
InChIInChI=1S/C17H24N4O2S/c1-10(18-15(22)9-14-11(2)24-12(3)19-14)17-20-16(21-23-17)13-7-5-4-6-8-13/h10,13H,4-9H2,1-3H3,(H,18,22)
InChIKeyLOYVLADNEKMYCR-UHFFFAOYSA-N
XLogP3.61
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide (CID 136515591) is N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NC(C)c2nc(C3CCCCC3)no2)c(C)s1.
What is the InChIKey of N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is LOYVLADNEKMYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-10(18-15(22)9-14-11(2)24-12(3)19-14)17-20-16(21-23-17)13-7-5-4-6-8-13/h10,13H,4-9H2,1-3H3,(H,18,22).
What are the key properties of N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 348.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 136515591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).