[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methanamine

C9H16N2O — CID 65178786

IUPAC[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methanamine
SMILESCCC(C)(C)c1cnc(CN)o1
InChIInChI=1S/C9H16N2O/c1-4-9(2,3)7-6-11-8(5-10)12-7/h6H,4-5,10H2,1-3H3
InChIKeyDTLSWXNTGAEAEZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.82
Rot. Bonds3

About [5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methanamine

[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methanamine (PubChem CID 65178786) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is [5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methanamine
PubChem CID65178786
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methanamine
SMILESCCC(C)(C)c1cnc(CN)o1
InChIInChI=1S/C9H16N2O/c1-4-9(2,3)7-6-11-8(5-10)12-7/h6H,4-5,10H2,1-3H3
InChIKeyDTLSWXNTGAEAEZ-UHFFFAOYSA-N
XLogP1.82
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methanamine (CID 65178786) is [5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methanamine is CCC(C)(C)c1cnc(CN)o1.
What is the InChIKey of [5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is DTLSWXNTGAEAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-9(2,3)7-6-11-8(5-10)12-7/h6H,4-5,10H2,1-3H3.
What are the key properties of [5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methanamine?
[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 168.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 65178786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).