(4S)-4-tert-butyl-2-[2-(2,2-dimethylpropoxy)propan-2-yl]-4,5-dihydro-1,3-oxazole

C15H29NO2 — CID 101382780

IUPAC(4S)-4-tert-butyl-2-[2-(2,2-dimethylpropoxy)propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)COC(C)(C)C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C15H29NO2/c1-13(2,3)10-18-15(7,8)12-16-11(9-17-12)14(4,5)6/h11H,9-10H2,1-8H3/t11-/m1/s1
InChIKeyVNGHWOFDUMTAID-LLVKDONJSA-N
MW255.40 g/mol
LogP3.67
Rot. Bonds3

About (4S)-4-tert-butyl-2-[2-(2,2-dimethylpropoxy)propan-2-yl]-4,5-dihydro-1,3-oxazole

(4S)-4-tert-butyl-2-[2-(2,2-dimethylpropoxy)propan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 101382780) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-[2-(2,2-dimethylpropoxy)propan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-[2-(2,2-dimethylpropoxy)propan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID101382780
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(4S)-4-tert-butyl-2-[2-(2,2-dimethylpropoxy)propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)COC(C)(C)C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C15H29NO2/c1-13(2,3)10-18-15(7,8)12-16-11(9-17-12)14(4,5)6/h11H,9-10H2,1-8H3/t11-/m1/s1
InChIKeyVNGHWOFDUMTAID-LLVKDONJSA-N
XLogP3.67
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2-[2-(2,2-dimethylpropoxy)propan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-[2-(2,2-dimethylpropoxy)propan-2-yl]-4,5-dihydro-1,3-oxazole (CID 101382780) is (4S)-4-tert-butyl-2-[2-(2,2-dimethylpropoxy)propan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-[2-(2,2-dimethylpropoxy)propan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-[2-(2,2-dimethylpropoxy)propan-2-yl]-4,5-dihydro-1,3-oxazole is CC(C)(C)COC(C)(C)C1=N[C@@H](C(C)(C)C)CO1.
What is the InChIKey of (4S)-4-tert-butyl-2-[2-(2,2-dimethylpropoxy)propan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is VNGHWOFDUMTAID-LLVKDONJSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13(2,3)10-18-15(7,8)12-16-11(9-17-12)14(4,5)6/h11H,9-10H2,1-8H3/t11-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-[2-(2,2-dimethylpropoxy)propan-2-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-[2-(2,2-dimethylpropoxy)propan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 255.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2-[2-(2,2-dimethylpropoxy)propan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101382780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).