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

C20H22FN3O2 — CID 110319025

IUPACN-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NCc1nnc(-c2ccccc2F)o1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H22FN3O2/c21-16-4-2-1-3-15(16)18-24-23-17(26-18)11-22-19(25)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H,22,25)
InChIKeyGCANTUIFSBGOJO-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.71
Rot. Bonds4

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

N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]adamantane-1-carboxamide (PubChem CID 110319025) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]adamantane-1-carboxamide
PubChem CID110319025
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NCc1nnc(-c2ccccc2F)o1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H22FN3O2/c21-16-4-2-1-3-15(16)18-24-23-17(26-18)11-22-19(25)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H,22,25)
InChIKeyGCANTUIFSBGOJO-UHFFFAOYSA-N
XLogP3.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 17392931
benzyl N-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 118722858
(r)-2-amino-N-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)propanamide
CID 132279660
(2R)-2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
CID 134139607
2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 134148049
2-amino-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 134155619
N-(1-cyclohexylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 162647644
N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 46345829
1-(2-Fluorobenzoyl)-2-(5-phenyl-1,3,4-oxadiazol-2-YL)azepane
CID 124043035
2-(dimethylamino)-N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide
CID 45783943
N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2,2-dimethylpropanamide
CID 45784167
N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]cyclopropanecarboxamide
CID 45784168

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]adamantane-1-carboxamide (CID 110319025) is N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]adamantane-1-carboxamide is O=C(NCc1nnc(-c2ccccc2F)o1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]adamantane-1-carboxamide?
The InChIKey is GCANTUIFSBGOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-16-4-2-1-3-15(16)18-24-23-17(26-18)11-22-19(25)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H,22,25).
What are the key properties of N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]adamantane-1-carboxamide?
N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]adamantane-1-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 110319025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).