5-(2-adamantyl)-4-ethyl-1,2-oxazol-3-amine

C15H22N2O — CID 81096263

IUPAC5-(2-adamantyl)-4-ethyl-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H22N2O/c1-2-12-14(18-17-15(12)16)13-10-4-8-3-9(6-10)7-11(13)5-8/h8-11,13H,2-7H2,1H3,(H2,16,17)
InChIKeyQSBOBZLLZLTMAE-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.36
Rot. Bonds2

About 5-(2-adamantyl)-4-ethyl-1,2-oxazol-3-amine

5-(2-adamantyl)-4-ethyl-1,2-oxazol-3-amine (PubChem CID 81096263) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-(2-adamantyl)-4-ethyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-adamantyl)-4-ethyl-1,2-oxazol-3-amine
PubChem CID81096263
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-(2-adamantyl)-4-ethyl-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H22N2O/c1-2-12-14(18-17-15(12)16)13-10-4-8-3-9(6-10)7-11(13)5-8/h8-11,13H,2-7H2,1H3,(H2,16,17)
InChIKeyQSBOBZLLZLTMAE-UHFFFAOYSA-N
XLogP3.36
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-adamantyl)-4-ethyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-adamantyl)-4-ethyl-1,2-oxazol-3-amine (CID 81096263) is 5-(2-adamantyl)-4-ethyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-adamantyl)-4-ethyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-adamantyl)-4-ethyl-1,2-oxazol-3-amine is CCc1c(N)noc1C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 5-(2-adamantyl)-4-ethyl-1,2-oxazol-3-amine?
The InChIKey is QSBOBZLLZLTMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-12-14(18-17-15(12)16)13-10-4-8-3-9(6-10)7-11(13)5-8/h8-11,13H,2-7H2,1H3,(H2,16,17).
What are the key properties of 5-(2-adamantyl)-4-ethyl-1,2-oxazol-3-amine?
5-(2-adamantyl)-4-ethyl-1,2-oxazol-3-amine has a molecular weight of 246.35 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-adamantyl)-4-ethyl-1,2-oxazol-3-amine is sourced from PubChem (CID 81096263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).