(4S)-4-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-4,5-dihydro-1,3-oxazole

C14H27NO — CID 11629966

IUPAC(4S)-4-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC(C(C)(C)C(C)(C)C)=N1
InChIInChI=1S/C14H27NO/c1-12(2,3)10-9-16-11(15-10)14(7,8)13(4,5)6/h10H,9H2,1-8H3/t10-/m1/s1
InChIKeyJQVVZBFRGRJEEI-SNVBAGLBSA-N
MW225.38 g/mol
LogP3.90
Rot. Bonds1

About (4S)-4-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-4,5-dihydro-1,3-oxazole

(4S)-4-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 11629966) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID11629966
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(4S)-4-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC(C(C)(C)C(C)(C)C)=N1
InChIInChI=1S/C14H27NO/c1-12(2,3)10-9-16-11(15-10)14(7,8)13(4,5)6/h10H,9H2,1-8H3/t10-/m1/s1
InChIKeyJQVVZBFRGRJEEI-SNVBAGLBSA-N
XLogP3.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-tert-butyl-2-(1-chloro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 11680136
copper;(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(hexafluoroantimony(1-))
CID 16689685
(4S)-4-tert-butyl-2-[4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,6-dimethylheptan-4-yl]-4,5-dihydro-1,3-oxazole
CID 15212537
(4S)-4-tert-butyl-2-[2-(2,2-dimethylpropoxy)propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 101382780
(4S)-4-tert-butyl-2-(2-methanidyloxypropan-2-yl)-4,5-dihydro-1,3-oxazole;carbanide;iridium(3+)
CID 59664161
(4S)-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-ethyl-4,5-dihydro-1,3-oxazole
CID 167632153
(4S)-4-tert-butyl-2-(1-chloro-3-iodo-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 101382779
4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole
CID 154730338
(4S)-4-tert-butyl-2-(2-phenoxypropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 58626939
CID 72835928
CID 72835928
(4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole
CID 59893979
4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole
CID 154790116

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-4,5-dihydro-1,3-oxazole (CID 11629966) is (4S)-4-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-4,5-dihydro-1,3-oxazole is CC(C)(C)[C@H]1COC(C(C)(C)C(C)(C)C)=N1.
What is the InChIKey of (4S)-4-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is JQVVZBFRGRJEEI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2,3)10-9-16-11(15-10)14(7,8)13(4,5)6/h10H,9H2,1-8H3/t10-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 225.38 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11629966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).