spiro[4H-1,3-oxazole-5,2'-adamantane]-2-amine

C12H18N2O — CID 102406459

IUPACspiro[4H-1,3-oxazole-5,2'-adamantane]-2-amine
SMILESNC1=NCC2(O1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C12H18N2O/c13-11-14-6-12(15-11)9-2-7-1-8(4-9)5-10(12)3-7/h7-10H,1-6H2,(H2,13,14)
InChIKeyHEPASCBRLFCBDX-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.53
Rot. Bonds

About spiro[4H-1,3-oxazole-5,2'-adamantane]-2-amine

spiro[4H-1,3-oxazole-5,2'-adamantane]-2-amine (PubChem CID 102406459) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is spiro[4H-1,3-oxazole-5,2'-adamantane]-2-amine.

Molecular Properties

Compound Namespiro[4H-1,3-oxazole-5,2'-adamantane]-2-amine
PubChem CID102406459
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Namespiro[4H-1,3-oxazole-5,2'-adamantane]-2-amine
SMILESNC1=NCC2(O1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C12H18N2O/c13-11-14-6-12(15-11)9-2-7-1-8(4-9)5-10(12)3-7/h7-10H,1-6H2,(H2,13,14)
InChIKeyHEPASCBRLFCBDX-UHFFFAOYSA-N
XLogP1.53
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[4H-1,3-oxazole-5,2'-adamantane]-2-amine?
The IUPAC name of spiro[4H-1,3-oxazole-5,2'-adamantane]-2-amine (CID 102406459) is spiro[4H-1,3-oxazole-5,2'-adamantane]-2-amine.
What is the SMILES notation for spiro[4H-1,3-oxazole-5,2'-adamantane]-2-amine?
The canonical SMILES for spiro[4H-1,3-oxazole-5,2'-adamantane]-2-amine is NC1=NCC2(O1)C1CC3CC(C1)CC2C3.
What is the InChIKey of spiro[4H-1,3-oxazole-5,2'-adamantane]-2-amine?
The InChIKey is HEPASCBRLFCBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-11-14-6-12(15-11)9-2-7-1-8(4-9)5-10(12)3-7/h7-10H,1-6H2,(H2,13,14).
What are the key properties of spiro[4H-1,3-oxazole-5,2'-adamantane]-2-amine?
spiro[4H-1,3-oxazole-5,2'-adamantane]-2-amine has a molecular weight of 206.29 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4H-1,3-oxazole-5,2'-adamantane]-2-amine is sourced from PubChem (CID 102406459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).