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

C14H21N3O — CID 62071998

IUPAC1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C14H21N3O/c1-8(15)12-16-17-13(18-12)14-5-9-2-10(6-14)4-11(3-9)7-14/h8-11H,2-7,15H2,1H3
InChIKeyDCNQJRMRAWQMQP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.56
Rot. Bonds2

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

1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62071998) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62071998
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C14H21N3O/c1-8(15)12-16-17-13(18-12)14-5-9-2-10(6-14)4-11(3-9)7-14/h8-11H,2-7,15H2,1H3
InChIKeyDCNQJRMRAWQMQP-UHFFFAOYSA-N
XLogP2.56
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 62071998) is 1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine is CC(N)c1nnc(C23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of 1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is DCNQJRMRAWQMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-8(15)12-16-17-13(18-12)14-5-9-2-10(6-14)4-11(3-9)7-14/h8-11H,2-7,15H2,1H3.
What are the key properties of 1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine?
1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 247.34 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62071998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).