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

C21H24N2O2 — CID 57176888

IUPACN-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propanamide
SMILESCCC(=O)NC(Cc1ccccc1)C1C=C(Cc2ccccc2)NO1
InChIInChI=1S/C21H24N2O2/c1-2-21(24)22-19(14-17-11-7-4-8-12-17)20-15-18(23-25-20)13-16-9-5-3-6-10-16/h3-12,15,19-20,23H,2,13-14H2,1H3,(H,22,24)
InChIKeyHKLKHEWKMTYECT-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.15
Rot. Bonds7

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

N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propanamide (PubChem CID 57176888) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propanamide.

Molecular Properties

Compound NameN-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propanamide
PubChem CID57176888
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propanamide
SMILESCCC(=O)NC(Cc1ccccc1)C1C=C(Cc2ccccc2)NO1
InChIInChI=1S/C21H24N2O2/c1-2-21(24)22-19(14-17-11-7-4-8-12-17)20-15-18(23-25-20)13-16-9-5-3-6-10-16/h3-12,15,19-20,23H,2,13-14H2,1H3,(H,22,24)
InChIKeyHKLKHEWKMTYECT-UHFFFAOYSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.15
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]propanamide?
The IUPAC name of N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propanamide (CID 57176888) is N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propanamide.
What is the SMILES notation for N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propanamide?
The canonical SMILES for N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propanamide is CCC(=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]propanamide?
The InChIKey is HKLKHEWKMTYECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-21(24)22-19(14-17-11-7-4-8-12-17)20-15-18(23-25-20)13-16-9-5-3-6-10-16/h3-12,15,19-20,23H,2,13-14H2,1H3,(H,22,24).
What are the key properties of N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propanamide?
N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propanamide has a molecular weight of 336.44 g/mol, XLogP of 3.15, 7 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]propanamide is sourced from PubChem (CID 57176888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).