5-[2-(1-adamantyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-oxazole

C19H23N3O — CID 628141

IUPAC5-[2-(1-adamantyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-oxazole
SMILESCc1nc(C)c(-c2ccnc(C34CC5CC(CC(C5)C3)C4)n2)o1
InChIInChI=1S/C19H23N3O/c1-11-17(23-12(2)21-11)16-3-4-20-18(22-16)19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,13-15H,5-10H2,1-2H3
InChIKeyBIRYFGPAKWWFBU-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.22
Rot. Bonds2

About 5-[2-(1-adamantyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-oxazole

5-[2-(1-adamantyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-oxazole (PubChem CID 628141) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 5-[2-(1-adamantyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name5-[2-(1-adamantyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-oxazole
PubChem CID628141
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name5-[2-(1-adamantyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-oxazole
SMILESCc1nc(C)c(-c2ccnc(C34CC5CC(CC(C5)C3)C4)n2)o1
InChIInChI=1S/C19H23N3O/c1-11-17(23-12(2)21-11)16-3-4-20-18(22-16)19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,13-15H,5-10H2,1-2H3
InChIKeyBIRYFGPAKWWFBU-UHFFFAOYSA-N
XLogP4.22
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-adamantyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-oxazole?
The IUPAC name of 5-[2-(1-adamantyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-oxazole (CID 628141) is 5-[2-(1-adamantyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-oxazole.
What is the SMILES notation for 5-[2-(1-adamantyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-oxazole?
The canonical SMILES for 5-[2-(1-adamantyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-oxazole is Cc1nc(C)c(-c2ccnc(C34CC5CC(CC(C5)C3)C4)n2)o1.
What is the InChIKey of 5-[2-(1-adamantyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-oxazole?
The InChIKey is BIRYFGPAKWWFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-11-17(23-12(2)21-11)16-3-4-20-18(22-16)19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,13-15H,5-10H2,1-2H3.
What are the key properties of 5-[2-(1-adamantyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-oxazole?
5-[2-(1-adamantyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-oxazole has a molecular weight of 309.41 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-adamantyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-oxazole is sourced from PubChem (CID 628141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).