2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide

C20H31N3O2S — CID 17423576

IUPAC2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)C(C)C
InChIInChI=1S/C20H31N3O2S/c1-12(2)23(13(3)4)17(24)11-26-19-22-21-18(25-19)20-8-14-5-15(9-20)7-16(6-14)10-20/h12-16H,5-11H2,1-4H3
InChIKeyFDYSUUVZEFHNAX-UHFFFAOYSA-N
MW377.55 g/mol
LogP4.27
Rot. Bonds6

About 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide

2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide (PubChem CID 17423576) has the molecular formula C20H31N3O2S and a molecular weight of 377.55 g/mol. Its IUPAC name is 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide
PubChem CID17423576
Molecular FormulaC20H31N3O2S
Molecular Weight377.55 g/mol
Exact Mass377.21
IUPAC Name2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)C(C)C
InChIInChI=1S/C20H31N3O2S/c1-12(2)23(13(3)4)17(24)11-26-19-22-21-18(25-19)20-8-14-5-15(9-20)7-16(6-14)10-20/h12-16H,5-11H2,1-4H3
InChIKeyFDYSUUVZEFHNAX-UHFFFAOYSA-N
XLogP4.27
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide (CID 17423576) is 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)C(C)C.
What is the InChIKey of 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is FDYSUUVZEFHNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2S/c1-12(2)23(13(3)4)17(24)11-26-19-22-21-18(25-19)20-8-14-5-15(9-20)7-16(6-14)10-20/h12-16H,5-11H2,1-4H3.
What are the key properties of 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide?
2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 377.55 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 17423576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).