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

C17H32N2O3 — CID 30842385

IUPAC2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)N[C@@H](CO)C(C)(C)C)C1=N[C@H](C(C)(C)C)CO1
InChIInChI=1S/C17H32N2O3/c1-15(2,3)11(9-20)18-13(21)17(7,8)14-19-12(10-22-14)16(4,5)6/h11-12,20H,9-10H2,1-8H3,(H,18,21)/t11-,12-/m0/s1
InChIKeyWEXMWJMLADRXAH-RYUDHWBXSA-N
MW312.45 g/mol
LogP2.38
Rot. Bonds4

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

2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-methylpropanamide (PubChem CID 30842385) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is 2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-methylpropanamide
PubChem CID30842385
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)N[C@@H](CO)C(C)(C)C)C1=N[C@H](C(C)(C)C)CO1
InChIInChI=1S/C17H32N2O3/c1-15(2,3)11(9-20)18-13(21)17(7,8)14-19-12(10-22-14)16(4,5)6/h11-12,20H,9-10H2,1-8H3,(H,18,21)/t11-,12-/m0/s1
InChIKeyWEXMWJMLADRXAH-RYUDHWBXSA-N
XLogP2.38
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-methylpropanamide (CID 30842385) is 2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-methylpropanamide is CC(C)(C(=O)N[C@@H](CO)C(C)(C)C)C1=N[C@H](C(C)(C)C)CO1.
What is the InChIKey of 2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-methylpropanamide?
The InChIKey is WEXMWJMLADRXAH-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-15(2,3)11(9-20)18-13(21)17(7,8)14-19-12(10-22-14)16(4,5)6/h11-12,20H,9-10H2,1-8H3,(H,18,21)/t11-,12-/m0/s1.
What are the key properties of 2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-methylpropanamide?
2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-methylpropanamide has a molecular weight of 312.45 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 30842385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).