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

C12H23NO — CID 135076010

IUPAC(4R)-4-tert-butyl-2-(2-methylbutan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCCC(C)(C)C1=N[C@H](C(C)(C)C)CO1
InChIInChI=1S/C12H23NO/c1-7-12(5,6)10-13-9(8-14-10)11(2,3)4/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyBGGMSJKLGIFKGE-VIFPVBQESA-N
MW197.32 g/mol
LogP3.27
Rot. Bonds2

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

(4R)-4-tert-butyl-2-(2-methylbutan-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 135076010) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (4R)-4-tert-butyl-2-(2-methylbutan-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-tert-butyl-2-(2-methylbutan-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID135076010
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(4R)-4-tert-butyl-2-(2-methylbutan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCCC(C)(C)C1=N[C@H](C(C)(C)C)CO1
InChIInChI=1S/C12H23NO/c1-7-12(5,6)10-13-9(8-14-10)11(2,3)4/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyBGGMSJKLGIFKGE-VIFPVBQESA-N
XLogP3.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-tert-butyl-2-(2-methylbutan-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-tert-butyl-2-(2-methylbutan-2-yl)-4,5-dihydro-1,3-oxazole (CID 135076010) is (4R)-4-tert-butyl-2-(2-methylbutan-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-tert-butyl-2-(2-methylbutan-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-tert-butyl-2-(2-methylbutan-2-yl)-4,5-dihydro-1,3-oxazole is CCC(C)(C)C1=N[C@H](C(C)(C)C)CO1.
What is the InChIKey of (4R)-4-tert-butyl-2-(2-methylbutan-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is BGGMSJKLGIFKGE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H23NO/c1-7-12(5,6)10-13-9(8-14-10)11(2,3)4/h9H,7-8H2,1-6H3/t9-/m0/s1.
What are the key properties of (4R)-4-tert-butyl-2-(2-methylbutan-2-yl)-4,5-dihydro-1,3-oxazole?
(4R)-4-tert-butyl-2-(2-methylbutan-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 197.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-tert-butyl-2-(2-methylbutan-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 135076010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).