4-(1-adamantyl)-2,5-dimethyl-1,3-oxazole

C15H21NO — CID 2836019

IUPAC4-(1-adamantyl)-2,5-dimethyl-1,3-oxazole
SMILESCc1nc(C23CC4CC(CC(C4)C2)C3)c(C)o1
InChIInChI=1S/C15H21NO/c1-9-14(16-10(2)17-9)15-6-11-3-12(7-15)5-13(4-11)8-15/h11-13H,3-8H2,1-2H3
InChIKeyJWJALCGPFVWBLC-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.76
Rot. Bonds1

About 4-(1-adamantyl)-2,5-dimethyl-1,3-oxazole

4-(1-adamantyl)-2,5-dimethyl-1,3-oxazole (PubChem CID 2836019) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(1-adamantyl)-2,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name4-(1-adamantyl)-2,5-dimethyl-1,3-oxazole
PubChem CID2836019
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-(1-adamantyl)-2,5-dimethyl-1,3-oxazole
SMILESCc1nc(C23CC4CC(CC(C4)C2)C3)c(C)o1
InChIInChI=1S/C15H21NO/c1-9-14(16-10(2)17-9)15-6-11-3-12(7-15)5-13(4-11)8-15/h11-13H,3-8H2,1-2H3
InChIKeyJWJALCGPFVWBLC-UHFFFAOYSA-N
XLogP3.76
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-2,5-dimethyl-1,3-oxazole?
The IUPAC name of 4-(1-adamantyl)-2,5-dimethyl-1,3-oxazole (CID 2836019) is 4-(1-adamantyl)-2,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 4-(1-adamantyl)-2,5-dimethyl-1,3-oxazole?
The canonical SMILES for 4-(1-adamantyl)-2,5-dimethyl-1,3-oxazole is Cc1nc(C23CC4CC(CC(C4)C2)C3)c(C)o1.
What is the InChIKey of 4-(1-adamantyl)-2,5-dimethyl-1,3-oxazole?
The InChIKey is JWJALCGPFVWBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-9-14(16-10(2)17-9)15-6-11-3-12(7-15)5-13(4-11)8-15/h11-13H,3-8H2,1-2H3.
What are the key properties of 4-(1-adamantyl)-2,5-dimethyl-1,3-oxazole?
4-(1-adamantyl)-2,5-dimethyl-1,3-oxazole has a molecular weight of 231.34 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-2,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 2836019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).