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

C9H17NO — CID 59893979

IUPAC(4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole
SMILESCCC1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C9H17NO/c1-5-8-10-7(6-11-8)9(2,3)4/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeySIUXSFMXLSHPEJ-SSDOTTSWSA-N
MW155.24 g/mol
LogP2.24
Rot. Bonds1

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

(4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole (PubChem CID 59893979) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole
PubChem CID59893979
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole
SMILESCCC1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C9H17NO/c1-5-8-10-7(6-11-8)9(2,3)4/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeySIUXSFMXLSHPEJ-SSDOTTSWSA-N
XLogP2.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

t-Bu-box, (S,S)-
CID 688208
2,2'-Methylenebis[(4S)-4-tert-butyl-2-oxazoline]
CID 688207
t-Bu-box, (R,R)-
CID 688210
4-Tert-butyl-2-[1-(4-tert-butyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole
CID 495276
Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)methane
CID 688205
2-Methyl-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole
CID 2777860
4-Tert-butyl-2-[(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole
CID 3479933
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
CID 372806
4-(S)-isopropyl-2-methyloxazoline
CID 6932325
(4S)-4-tert-butyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 10898811
(4S)-2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole
CID 11228922
(4S)-4-tert-butyl-2-(1-iodo-2,3,3-trimethylbutan-2-yl)-4,5-dihydro-1,3-oxazole
CID 12175945

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole (CID 59893979) is (4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole is CCC1=N[C@@H](C(C)(C)C)CO1.
What is the InChIKey of (4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole?
The InChIKey is SIUXSFMXLSHPEJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-8-10-7(6-11-8)9(2,3)4/h7H,5-6H2,1-4H3/t7-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole has a molecular weight of 155.24 g/mol, XLogP of 2.24, 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-ethyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 59893979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).