N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantane-1-carboxamide

C17H25N3O2 — CID 110368326

IUPACN-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantane-1-carboxamide
SMILESCC(C)c1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C17H25N3O2/c1-10(2)15-20-19-14(22-15)9-18-16(21)17-6-11-3-12(7-17)5-13(4-11)8-17/h10-13H,3-9H2,1-2H3,(H,18,21)
InChIKeyASWRIJFXXFYAHP-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.03
Rot. Bonds4

About N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantane-1-carboxamide

N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantane-1-carboxamide (PubChem CID 110368326) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantane-1-carboxamide
PubChem CID110368326
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantane-1-carboxamide
SMILESCC(C)c1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C17H25N3O2/c1-10(2)15-20-19-14(22-15)9-18-16(21)17-6-11-3-12(7-17)5-13(4-11)8-17/h10-13H,3-9H2,1-2H3,(H,18,21)
InChIKeyASWRIJFXXFYAHP-UHFFFAOYSA-N
XLogP3.03
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantane-1-carboxamide?
The IUPAC name of N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantane-1-carboxamide (CID 110368326) is N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantane-1-carboxamide is CC(C)c1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantane-1-carboxamide?
The InChIKey is ASWRIJFXXFYAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-10(2)15-20-19-14(22-15)9-18-16(21)17-6-11-3-12(7-17)5-13(4-11)8-17/h10-13H,3-9H2,1-2H3,(H,18,21).
What are the key properties of N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantane-1-carboxamide?
N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantane-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 110368326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).