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

C14H20N2O — CID 43158339

IUPAC3-(1-adamantyl)-4-methyl-1,2-oxazol-5-amine
SMILESCc1c(C23CC4CC(CC(C4)C2)C3)noc1N
InChIInChI=1S/C14H20N2O/c1-8-12(16-17-13(8)15)14-5-9-2-10(6-14)4-11(3-9)7-14/h9-11H,2-7,15H2,1H3
InChIKeyBNWRKXGDXIPCKP-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.03
Rot. Bonds1

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

3-(1-adamantyl)-4-methyl-1,2-oxazol-5-amine (PubChem CID 43158339) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(1-adamantyl)-4-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(1-adamantyl)-4-methyl-1,2-oxazol-5-amine
PubChem CID43158339
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(1-adamantyl)-4-methyl-1,2-oxazol-5-amine
SMILESCc1c(C23CC4CC(CC(C4)C2)C3)noc1N
InChIInChI=1S/C14H20N2O/c1-8-12(16-17-13(8)15)14-5-9-2-10(6-14)4-11(3-9)7-14/h9-11H,2-7,15H2,1H3
InChIKeyBNWRKXGDXIPCKP-UHFFFAOYSA-N
XLogP3.03
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-4-methyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(1-adamantyl)-4-methyl-1,2-oxazol-5-amine (CID 43158339) is 3-(1-adamantyl)-4-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(1-adamantyl)-4-methyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(1-adamantyl)-4-methyl-1,2-oxazol-5-amine is Cc1c(C23CC4CC(CC(C4)C2)C3)noc1N.
What is the InChIKey of 3-(1-adamantyl)-4-methyl-1,2-oxazol-5-amine?
The InChIKey is BNWRKXGDXIPCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-8-12(16-17-13(8)15)14-5-9-2-10(6-14)4-11(3-9)7-14/h9-11H,2-7,15H2,1H3.
What are the key properties of 3-(1-adamantyl)-4-methyl-1,2-oxazol-5-amine?
3-(1-adamantyl)-4-methyl-1,2-oxazol-5-amine has a molecular weight of 232.33 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-4-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 43158339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).