(1R)-1-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanamine

C16H25N3O — CID 104899834

IUPAC(1R)-1-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESC[C@@H](N)c1nc(C23CC4CC(C)(CC(C)(C4)C2)C3)no1
InChIInChI=1S/C16H25N3O/c1-10(17)12-18-13(19-20-12)16-6-11-4-14(2,8-16)7-15(3,5-11)9-16/h10-11H,4-9,17H2,1-3H3/t10-,11?,14?,15?,16?/m1/s1
InChIKeyZXUBWRNFPBMUIJ-QDSVODFLSA-N
MW275.40 g/mol
LogP3.34
Rot. Bonds2

About (1R)-1-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanamine

(1R)-1-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 104899834) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (1R)-1-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID104899834
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(1R)-1-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESC[C@@H](N)c1nc(C23CC4CC(C)(CC(C)(C4)C2)C3)no1
InChIInChI=1S/C16H25N3O/c1-10(17)12-18-13(19-20-12)16-6-11-4-14(2,8-16)7-15(3,5-11)9-16/h10-11H,4-9,17H2,1-3H3/t10-,11?,14?,15?,16?/m1/s1
InChIKeyZXUBWRNFPBMUIJ-QDSVODFLSA-N
XLogP3.34
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 104899834) is (1R)-1-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanamine is C[C@@H](N)c1nc(C23CC4CC(C)(CC(C)(C4)C2)C3)no1.
What is the InChIKey of (1R)-1-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is ZXUBWRNFPBMUIJ-QDSVODFLSA-N. The full InChI is InChI=1S/C16H25N3O/c1-10(17)12-18-13(19-20-12)16-6-11-4-14(2,8-16)7-15(3,5-11)9-16/h10-11H,4-9,17H2,1-3H3/t10-,11?,14?,15?,16?/m1/s1.
What are the key properties of (1R)-1-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanamine?
(1R)-1-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 275.40 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 104899834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).