(2-tert-butyl-1,3-oxazol-5-yl)methanamine

C8H14N2O — CID 82074678

IUPAC(2-tert-butyl-1,3-oxazol-5-yl)methanamine
SMILESCC(C)(C)c1ncc(CN)o1
InChIInChI=1S/C8H14N2O/c1-8(2,3)7-10-5-6(4-9)11-7/h5H,4,9H2,1-3H3
InChIKeyRNJXQDNSNSRTMN-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.43
Rot. Bonds1

About (2-tert-butyl-1,3-oxazol-5-yl)methanamine

(2-tert-butyl-1,3-oxazol-5-yl)methanamine (PubChem CID 82074678) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (2-tert-butyl-1,3-oxazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-tert-butyl-1,3-oxazol-5-yl)methanamine
PubChem CID82074678
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(2-tert-butyl-1,3-oxazol-5-yl)methanamine
SMILESCC(C)(C)c1ncc(CN)o1
InChIInChI=1S/C8H14N2O/c1-8(2,3)7-10-5-6(4-9)11-7/h5H,4,9H2,1-3H3
InChIKeyRNJXQDNSNSRTMN-UHFFFAOYSA-N
XLogP1.43
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-oxazol-5-yl)methanamine?
The IUPAC name of (2-tert-butyl-1,3-oxazol-5-yl)methanamine (CID 82074678) is (2-tert-butyl-1,3-oxazol-5-yl)methanamine.
What is the SMILES notation for (2-tert-butyl-1,3-oxazol-5-yl)methanamine?
The canonical SMILES for (2-tert-butyl-1,3-oxazol-5-yl)methanamine is CC(C)(C)c1ncc(CN)o1.
What is the InChIKey of (2-tert-butyl-1,3-oxazol-5-yl)methanamine?
The InChIKey is RNJXQDNSNSRTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(2,3)7-10-5-6(4-9)11-7/h5H,4,9H2,1-3H3.
What are the key properties of (2-tert-butyl-1,3-oxazol-5-yl)methanamine?
(2-tert-butyl-1,3-oxazol-5-yl)methanamine has a molecular weight of 154.21 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-oxazol-5-yl)methanamine is sourced from PubChem (CID 82074678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).