N-(1-adamantyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C18H27N3O2 — CID 39877535

IUPACN-(1-adamantyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)c1noc(CCC(=O)NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C18H27N3O2/c1-11(2)17-19-16(23-21-17)4-3-15(22)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h11-14H,3-10H2,1-2H3,(H,20,22)
InChIKeyVHXFTTSCMBDMNM-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.21
Rot. Bonds5

About N-(1-adamantyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(1-adamantyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 39877535) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(1-adamantyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID39877535
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(1-adamantyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)c1noc(CCC(=O)NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C18H27N3O2/c1-11(2)17-19-16(23-21-17)4-3-15(22)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h11-14H,3-10H2,1-2H3,(H,20,22)
InChIKeyVHXFTTSCMBDMNM-UHFFFAOYSA-N
XLogP3.21
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((5-isobutyl-1,2,4-oxadiazol-3-yl)methyl)adamantan-1-amine
CID 71609757
N-((5-isopropyl-1,2,4-oxadiazol-3-yl)methyl)adamantan-1-amine
CID 89612895
N-((5-propyl-1,2,4-oxadiazol-3-yl)methyl)adamantan-1-amine
CID 89613015
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine
CID 89627048
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine
CID 89627044
N-((5-(tert-butyl)-1,2,4-oxadiazol-3-yl)methyl)adamantan-1-amine
CID 89627057
N-[(5-butan-2-yl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine
CID 123326841
N-(1-adamantyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 45806087
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(1-adamantylmethyl)-N-methylpropanamide
CID 56023391
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1-adamantyl)ethyl]propanamide
CID 56023996
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]adamantane-2-carboxamide
CID 56356274
2-Methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 62048145

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(1-adamantyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 39877535) is N-(1-adamantyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(1-adamantyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(1-adamantyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CC(C)c1noc(CCC(=O)NC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-(1-adamantyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is VHXFTTSCMBDMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-11(2)17-19-16(23-21-17)4-3-15(22)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h11-14H,3-10H2,1-2H3,(H,20,22).
What are the key properties of N-(1-adamantyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(1-adamantyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 317.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 39877535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).