N-[(1S)-1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-ethylbut-3-enyl]acetamide

C18H24N2O2 — CID 130474095

IUPACN-[(1S)-1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-ethylbut-3-enyl]acetamide
SMILESC=CC(CC)[C@H](NC(C)=O)C1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C18H24N2O2/c1-4-15(5-2)17(19-13(3)21)18-20-16(12-22-18)11-14-9-7-6-8-10-14/h4,6-10,15-17H,1,5,11-12H2,2-3H3,(H,19,21)/t15?,16-,17-/m0/s1
InChIKeyWAZWXPZUPIDNOE-BSOSBYQFSA-N
MW300.40 g/mol
LogP2.74
Rot. Bonds7

About N-[(1S)-1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-ethylbut-3-enyl]acetamide

N-[(1S)-1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-ethylbut-3-enyl]acetamide (PubChem CID 130474095) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[(1S)-1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-ethylbut-3-enyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-ethylbut-3-enyl]acetamide
PubChem CID130474095
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[(1S)-1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-ethylbut-3-enyl]acetamide
SMILESC=CC(CC)[C@H](NC(C)=O)C1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C18H24N2O2/c1-4-15(5-2)17(19-13(3)21)18-20-16(12-22-18)11-14-9-7-6-8-10-14/h4,6-10,15-17H,1,5,11-12H2,2-3H3,(H,19,21)/t15?,16-,17-/m0/s1
InChIKeyWAZWXPZUPIDNOE-BSOSBYQFSA-N
XLogP2.74
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-ethylbut-3-enyl]acetamide?
The IUPAC name of N-[(1S)-1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-ethylbut-3-enyl]acetamide (CID 130474095) is N-[(1S)-1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-ethylbut-3-enyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-ethylbut-3-enyl]acetamide?
The canonical SMILES for N-[(1S)-1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-ethylbut-3-enyl]acetamide is C=CC(CC)[C@H](NC(C)=O)C1=N[C@@H](Cc2ccccc2)CO1.
What is the InChIKey of N-[(1S)-1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-ethylbut-3-enyl]acetamide?
The InChIKey is WAZWXPZUPIDNOE-BSOSBYQFSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-4-15(5-2)17(19-13(3)21)18-20-16(12-22-18)11-14-9-7-6-8-10-14/h4,6-10,15-17H,1,5,11-12H2,2-3H3,(H,19,21)/t15?,16-,17-/m0/s1.
What are the key properties of N-[(1S)-1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-ethylbut-3-enyl]acetamide?
N-[(1S)-1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-ethylbut-3-enyl]acetamide has a molecular weight of 300.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-ethylbut-3-enyl]acetamide is sourced from PubChem (CID 130474095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).