N-tert-butyl-N,4,4-trimethyl-5H-1,3-oxazol-2-amine

C10H20N2O — CID 58140113

IUPACN-tert-butyl-N,4,4-trimethyl-5H-1,3-oxazol-2-amine
SMILESCN(C1=NC(C)(C)CO1)C(C)(C)C
InChIInChI=1S/C10H20N2O/c1-9(2,3)12(6)8-11-10(4,5)7-13-8/h7H2,1-6H3
InChIKeyYVKJGUGICHVNQQ-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.88
Rot. Bonds

About N-tert-butyl-N,4,4-trimethyl-5H-1,3-oxazol-2-amine

N-tert-butyl-N,4,4-trimethyl-5H-1,3-oxazol-2-amine (PubChem CID 58140113) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-tert-butyl-N,4,4-trimethyl-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-N,4,4-trimethyl-5H-1,3-oxazol-2-amine
PubChem CID58140113
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-tert-butyl-N,4,4-trimethyl-5H-1,3-oxazol-2-amine
SMILESCN(C1=NC(C)(C)CO1)C(C)(C)C
InChIInChI=1S/C10H20N2O/c1-9(2,3)12(6)8-11-10(4,5)7-13-8/h7H2,1-6H3
InChIKeyYVKJGUGICHVNQQ-UHFFFAOYSA-N
XLogP1.88
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N,4,4-trimethyl-5H-1,3-oxazol-2-amine?
The IUPAC name of N-tert-butyl-N,4,4-trimethyl-5H-1,3-oxazol-2-amine (CID 58140113) is N-tert-butyl-N,4,4-trimethyl-5H-1,3-oxazol-2-amine.
What is the SMILES notation for N-tert-butyl-N,4,4-trimethyl-5H-1,3-oxazol-2-amine?
The canonical SMILES for N-tert-butyl-N,4,4-trimethyl-5H-1,3-oxazol-2-amine is CN(C1=NC(C)(C)CO1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N,4,4-trimethyl-5H-1,3-oxazol-2-amine?
The InChIKey is YVKJGUGICHVNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(2,3)12(6)8-11-10(4,5)7-13-8/h7H2,1-6H3.
What are the key properties of N-tert-butyl-N,4,4-trimethyl-5H-1,3-oxazol-2-amine?
N-tert-butyl-N,4,4-trimethyl-5H-1,3-oxazol-2-amine has a molecular weight of 184.28 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N,4,4-trimethyl-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 58140113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).