2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-methylpropanamide

C18H34N2O3 — CID 21039578

IUPAC2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)N[C@H](CCO)C(C)(C)C)C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C18H34N2O3/c1-16(2,3)12(9-10-21)19-14(22)18(7,8)15-20-13(11-23-15)17(4,5)6/h12-13,21H,9-11H2,1-8H3,(H,19,22)/t12-,13-/m1/s1
InChIKeyVGOHJZOCOGLPBZ-CHWSQXEVSA-N
MW326.48 g/mol
LogP2.77
Rot. Bonds5

About 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-methylpropanamide

2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-methylpropanamide (PubChem CID 21039578) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-methylpropanamide
PubChem CID21039578
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Name2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)N[C@H](CCO)C(C)(C)C)C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C18H34N2O3/c1-16(2,3)12(9-10-21)19-14(22)18(7,8)15-20-13(11-23-15)17(4,5)6/h12-13,21H,9-11H2,1-8H3,(H,19,22)/t12-,13-/m1/s1
InChIKeyVGOHJZOCOGLPBZ-CHWSQXEVSA-N
XLogP2.77
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-methylpropanamide?
The IUPAC name of 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-methylpropanamide (CID 21039578) is 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-methylpropanamide?
The canonical SMILES for 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-methylpropanamide is CC(C)(C(=O)N[C@H](CCO)C(C)(C)C)C1=N[C@@H](C(C)(C)C)CO1.
What is the InChIKey of 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-methylpropanamide?
The InChIKey is VGOHJZOCOGLPBZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-16(2,3)12(9-10-21)19-14(22)18(7,8)15-20-13(11-23-15)17(4,5)6/h12-13,21H,9-11H2,1-8H3,(H,19,22)/t12-,13-/m1/s1.
What are the key properties of 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-methylpropanamide?
2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-methylpropanamide has a molecular weight of 326.48 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-methylpropanamide is sourced from PubChem (CID 21039578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).