2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide

C22H23N3O3 — CID 41355513

IUPAC2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H23N3O3/c1-15(2)22(27)25-18-10-8-17(9-11-18)24-20(26)12-13-21-23-14-19(28-21)16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyUJNRNQUUMMRSNC-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.51
Rot. Bonds7

About 2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide

2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide (PubChem CID 41355513) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide
PubChem CID41355513
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H23N3O3/c1-15(2)22(27)25-18-10-8-17(9-11-18)24-20(26)12-13-21-23-14-19(28-21)16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyUJNRNQUUMMRSNC-UHFFFAOYSA-N
XLogP4.51
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55487102
N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
N-(3-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590292
3-(5-phenyl-1,3-oxazol-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 16590579
methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate
CID 38886699
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 38404443
N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 33308762
N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120505530
N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
N-[4-(diethylamino)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784918

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide (CID 41355513) is 2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide is CC(C)C(=O)Nc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide?
The InChIKey is UJNRNQUUMMRSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15(2)22(27)25-18-10-8-17(9-11-18)24-20(26)12-13-21-23-14-19(28-21)16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide?
2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide has a molecular weight of 377.44 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide is sourced from PubChem (CID 41355513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).