N-[1-(1-adamantyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C21H27N3O2S — CID 55537188

IUPACN-[1-(1-adamantyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(NC(=O)CCc1nnc(-c2ccsc2)o1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27N3O2S/c1-13(21-9-14-6-15(10-21)8-16(7-14)11-21)22-18(25)2-3-19-23-24-20(26-19)17-4-5-27-12-17/h4-5,12-16H,2-3,6-11H2,1H3,(H,22,25)
InChIKeySNRMVNDPHKWACE-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.45
Rot. Bonds6

About N-[1-(1-adamantyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-[1-(1-adamantyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 55537188) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID55537188
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-[1-(1-adamantyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(NC(=O)CCc1nnc(-c2ccsc2)o1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27N3O2S/c1-13(21-9-14-6-15(10-21)8-16(7-14)11-21)22-18(25)2-3-19-23-24-20(26-19)17-4-5-27-12-17/h4-5,12-16H,2-3,6-11H2,1H3,(H,22,25)
InChIKeySNRMVNDPHKWACE-UHFFFAOYSA-N
XLogP4.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 55537188) is N-[1-(1-adamantyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is CC(NC(=O)CCc1nnc(-c2ccsc2)o1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is SNRMVNDPHKWACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-13(21-9-14-6-15(10-21)8-16(7-14)11-21)22-18(25)2-3-19-23-24-20(26-19)17-4-5-27-12-17/h4-5,12-16H,2-3,6-11H2,1H3,(H,22,25).
What are the key properties of N-[1-(1-adamantyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[1-(1-adamantyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 385.53 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 55537188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).