N-[1-[(4S,5S)-4-benzyl-5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]acetamide

C21H32N2O2 — CID 139579540

IUPACN-[1-[(4S,5S)-4-benzyl-5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]acetamide
SMILESCC(=O)NC(C1=N[C@@H](Cc2ccccc2)[C@H](C(C)(C)C)O1)C(C)(C)C
InChIInChI=1S/C21H32N2O2/c1-14(24)22-17(20(2,3)4)19-23-16(18(25-19)21(5,6)7)13-15-11-9-8-10-12-15/h8-12,16-18H,13H2,1-7H3,(H,22,24)/t16-,17?,18+/m0/s1
InChIKeyMFMNAXWWAUEDLA-PXKIYYGHSA-N
MW344.50 g/mol
LogP3.99
Rot. Bonds4

About N-[1-[(4S,5S)-4-benzyl-5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]acetamide

N-[1-[(4S,5S)-4-benzyl-5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]acetamide (PubChem CID 139579540) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[1-[(4S,5S)-4-benzyl-5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]acetamide.

Molecular Properties

Compound NameN-[1-[(4S,5S)-4-benzyl-5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]acetamide
PubChem CID139579540
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[1-[(4S,5S)-4-benzyl-5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]acetamide
SMILESCC(=O)NC(C1=N[C@@H](Cc2ccccc2)[C@H](C(C)(C)C)O1)C(C)(C)C
InChIInChI=1S/C21H32N2O2/c1-14(24)22-17(20(2,3)4)19-23-16(18(25-19)21(5,6)7)13-15-11-9-8-10-12-15/h8-12,16-18H,13H2,1-7H3,(H,22,24)/t16-,17?,18+/m0/s1
InChIKeyMFMNAXWWAUEDLA-PXKIYYGHSA-N
XLogP3.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(4S,5S)-4-benzyl-5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4S,5S)-4-benzyl-5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]acetamide?
The IUPAC name of N-[1-[(4S,5S)-4-benzyl-5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]acetamide (CID 139579540) is N-[1-[(4S,5S)-4-benzyl-5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]acetamide.
What is the SMILES notation for N-[1-[(4S,5S)-4-benzyl-5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]acetamide?
The canonical SMILES for N-[1-[(4S,5S)-4-benzyl-5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]acetamide is CC(=O)NC(C1=N[C@@H](Cc2ccccc2)[C@H](C(C)(C)C)O1)C(C)(C)C.
What is the InChIKey of N-[1-[(4S,5S)-4-benzyl-5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]acetamide?
The InChIKey is MFMNAXWWAUEDLA-PXKIYYGHSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-14(24)22-17(20(2,3)4)19-23-16(18(25-19)21(5,6)7)13-15-11-9-8-10-12-15/h8-12,16-18H,13H2,1-7H3,(H,22,24)/t16-,17?,18+/m0/s1.
What are the key properties of N-[1-[(4S,5S)-4-benzyl-5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]acetamide?
N-[1-[(4S,5S)-4-benzyl-5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]acetamide has a molecular weight of 344.50 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4S,5S)-4-benzyl-5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]acetamide is sourced from PubChem (CID 139579540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).