N-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

C22H23N3O3 — CID 55637742

IUPACN-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)N(C)CC(=O)Nc3ccccc3)o2)cc1
InChIInChI=1S/C22H23N3O3/c1-16-8-10-17(11-9-16)19-14-23-21(28-19)12-13-22(27)25(2)15-20(26)24-18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3,(H,24,26)
InChIKeyCWCMVERFLYXDKY-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.68
Rot. Bonds7

About N-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

N-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 55637742) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID55637742
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)N(C)CC(=O)Nc3ccccc3)o2)cc1
InChIInChI=1S/C22H23N3O3/c1-16-8-10-17(11-9-16)19-14-23-21(28-19)12-13-22(27)25(2)15-20(26)24-18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3,(H,24,26)
InChIKeyCWCMVERFLYXDKY-UHFFFAOYSA-N
XLogP3.68
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 31927716
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18137364
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17497153
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55518700
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylpropanamide
CID 60549809
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18104453
N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422468
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
N-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 60622214
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 55687069
N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51092081

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (CID 55637742) is N-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is Cc1ccc(-c2cnc(CCC(=O)N(C)CC(=O)Nc3ccccc3)o2)cc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is CWCMVERFLYXDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16-8-10-17(11-9-16)19-14-23-21(28-19)12-13-22(27)25(2)15-20(26)24-18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3,(H,24,26).
What are the key properties of N-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
N-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 377.44 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 55637742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).