(5R)-5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole

C8H15NO — CID 58836471

IUPAC(5R)-5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@@H](C(C)(C)C)C1
InChIInChI=1S/C8H15NO/c1-6-5-7(10-9-6)8(2,3)4/h7H,5H2,1-4H3/t7-/m1/s1
InChIKeyUDKLIILOZHKXAC-SSDOTTSWSA-N
MW141.21 g/mol
LogP2.20
Rot. Bonds

About (5R)-5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole

(5R)-5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 58836471) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (5R)-5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID58836471
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(5R)-5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@@H](C(C)(C)C)C1
InChIInChI=1S/C8H15NO/c1-6-5-7(10-9-6)8(2,3)4/h7H,5H2,1-4H3/t7-/m1/s1
InChIKeyUDKLIILOZHKXAC-SSDOTTSWSA-N
XLogP2.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole (CID 58836471) is (5R)-5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole is CC1=NO[C@@H](C(C)(C)C)C1.
What is the InChIKey of (5R)-5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is UDKLIILOZHKXAC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-5-7(10-9-6)8(2,3)4/h7H,5H2,1-4H3/t7-/m1/s1.
What are the key properties of (5R)-5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole?
(5R)-5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 141.21 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58836471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).