3-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide

C22H24N2O2 — CID 71839854

IUPAC3-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(C)c1ccc(CNC(=O)CCc2conc2-c2ccccc2)cc1
InChIInChI=1S/C22H24N2O2/c1-16(2)18-10-8-17(9-11-18)14-23-21(25)13-12-20-15-26-24-22(20)19-6-4-3-5-7-19/h3-11,15-16H,12-14H2,1-2H3,(H,23,25)
InChIKeyIVIODCMJIOLBQG-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.71
Rot. Bonds7

About 3-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide

3-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide (PubChem CID 71839854) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
PubChem CID71839854
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name3-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(C)c1ccc(CNC(=O)CCc2conc2-c2ccccc2)cc1
InChIInChI=1S/C22H24N2O2/c1-16(2)18-10-8-17(9-11-18)14-23-21(25)13-12-20-15-26-24-22(20)19-6-4-3-5-7-19/h3-11,15-16H,12-14H2,1-2H3,(H,23,25)
InChIKeyIVIODCMJIOLBQG-UHFFFAOYSA-N
XLogP4.71
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 71839755
N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839834
N-benzyl-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161773
N-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839812
N-[(4-chlorophenyl)methyl]-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 71839779
N-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide
CID 71839873
N-(cyclohexylmethyl)-3-(3-phenyl-1,2-oxazol-4-yl)propanamide
CID 71839867
N-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839806
3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 71839823
N-benzyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784781
N-[(4-chlorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31064361
3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 51366020

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide (CID 71839854) is 3-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide is CC(C)c1ccc(CNC(=O)CCc2conc2-c2ccccc2)cc1.
What is the InChIKey of 3-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is IVIODCMJIOLBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16(2)18-10-8-17(9-11-18)14-23-21(25)13-12-20-15-26-24-22(20)19-6-4-3-5-7-19/h3-11,15-16H,12-14H2,1-2H3,(H,23,25).
What are the key properties of 3-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
3-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 348.45 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 71839854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).