N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]acetamide

C20H22N2O2 — CID 57122660

IUPACN-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]acetamide
SMILESCC(=O)NC(Cc1ccccc1)C1C=C(Cc2ccccc2)NO1
InChIInChI=1S/C20H22N2O2/c1-15(23)21-19(13-17-10-6-3-7-11-17)20-14-18(22-24-20)12-16-8-4-2-5-9-16/h2-11,14,19-20,22H,12-13H2,1H3,(H,21,23)
InChIKeyMYIFIHNTDDMZHQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.76
Rot. Bonds6

About N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]acetamide

N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]acetamide (PubChem CID 57122660) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]acetamide
PubChem CID57122660
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]acetamide
SMILESCC(=O)NC(Cc1ccccc1)C1C=C(Cc2ccccc2)NO1
InChIInChI=1S/C20H22N2O2/c1-15(23)21-19(13-17-10-6-3-7-11-17)20-14-18(22-24-20)12-16-8-4-2-5-9-16/h2-11,14,19-20,22H,12-13H2,1H3,(H,21,23)
InChIKeyMYIFIHNTDDMZHQ-UHFFFAOYSA-N
XLogP2.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]acetamide?
The IUPAC name of N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]acetamide (CID 57122660) is N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]acetamide.
What is the SMILES notation for N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]acetamide?
The canonical SMILES for N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]acetamide is CC(=O)NC(Cc1ccccc1)C1C=C(Cc2ccccc2)NO1.
What is the InChIKey of N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]acetamide?
The InChIKey is MYIFIHNTDDMZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15(23)21-19(13-17-10-6-3-7-11-17)20-14-18(22-24-20)12-16-8-4-2-5-9-16/h2-11,14,19-20,22H,12-13H2,1H3,(H,21,23).
What are the key properties of N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]acetamide?
N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]acetamide is sourced from PubChem (CID 57122660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).