N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide

C21H22N2O2 — CID 71839834

IUPACN-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
SMILESCc1ccc(CNC(=O)CCc2conc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C21H22N2O2/c1-15-3-7-17(8-4-15)13-22-20(24)12-11-19-14-25-23-21(19)18-9-5-16(2)6-10-18/h3-10,14H,11-13H2,1-2H3,(H,22,24)
InChIKeyRAZJPSLZXIGOEG-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.21
Rot. Bonds6

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

N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide (PubChem CID 71839834) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
PubChem CID71839834
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
SMILESCc1ccc(CNC(=O)CCc2conc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C21H22N2O2/c1-15-3-7-17(8-4-15)13-22-20(24)12-11-19-14-25-23-21(19)18-9-5-16(2)6-10-18/h3-10,14H,11-13H2,1-2H3,(H,22,24)
InChIKeyRAZJPSLZXIGOEG-UHFFFAOYSA-N
XLogP4.21
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 71839779
3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 71839823
3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 71839755
3-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 71839854
N-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839812
N-[(2,5-dimethylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839791
3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 53058845
N-benzyl-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161773
N-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839806
3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 38089852
N-[1-(4-methoxyphenyl)ethyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 53161741
N-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide
CID 53033046

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide (CID 71839834) is N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide is Cc1ccc(CNC(=O)CCc2conc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide?
The InChIKey is RAZJPSLZXIGOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-3-7-17(8-4-15)13-22-20(24)12-11-19-14-25-23-21(19)18-9-5-16(2)6-10-18/h3-10,14H,11-13H2,1-2H3,(H,22,24).
What are the key properties of N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide?
N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide has a molecular weight of 334.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 71839834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).