3-(1-adamantyl)-1,2-oxazole

C13H17NO — CID 503302

IUPAC3-(1-adamantyl)-1,2-oxazole
SMILESc1cc(C23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C13H17NO/c1-2-15-14-12(1)13-6-9-3-10(7-13)5-11(4-9)8-13/h1-2,9-11H,3-8H2
InChIKeyOUYWVEHBPBLFLZ-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.14
Rot. Bonds1

About 3-(1-adamantyl)-1,2-oxazole

3-(1-adamantyl)-1,2-oxazole (PubChem CID 503302) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-(1-adamantyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(1-adamantyl)-1,2-oxazole
PubChem CID503302
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-(1-adamantyl)-1,2-oxazole
SMILESc1cc(C23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C13H17NO/c1-2-15-14-12(1)13-6-9-3-10(7-13)5-11(4-9)8-13/h1-2,9-11H,3-8H2
InChIKeyOUYWVEHBPBLFLZ-UHFFFAOYSA-N
XLogP3.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-1,2-oxazole?
The IUPAC name of 3-(1-adamantyl)-1,2-oxazole (CID 503302) is 3-(1-adamantyl)-1,2-oxazole.
What is the SMILES notation for 3-(1-adamantyl)-1,2-oxazole?
The canonical SMILES for 3-(1-adamantyl)-1,2-oxazole is c1cc(C23CC4CC(CC(C4)C2)C3)no1.
What is the InChIKey of 3-(1-adamantyl)-1,2-oxazole?
The InChIKey is OUYWVEHBPBLFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-15-14-12(1)13-6-9-3-10(7-13)5-11(4-9)8-13/h1-2,9-11H,3-8H2.
What are the key properties of 3-(1-adamantyl)-1,2-oxazole?
3-(1-adamantyl)-1,2-oxazole has a molecular weight of 203.28 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-1,2-oxazole is sourced from PubChem (CID 503302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).