2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide

C23H21N3O3 — CID 110608808

IUPAC2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCc1ccccc1-c1nc(CC(=O)NCc2cc3ccccc3[nH]c2=O)c(C)o1
InChIInChI=1S/C23H21N3O3/c1-14-7-3-5-9-18(14)23-26-20(15(2)29-23)12-21(27)24-13-17-11-16-8-4-6-10-19(16)25-22(17)28/h3-11H,12-13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyROCJSBFWMMHPTK-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.66
Rot. Bonds5

About 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide

2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide (PubChem CID 110608808) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
PubChem CID110608808
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCc1ccccc1-c1nc(CC(=O)NCc2cc3ccccc3[nH]c2=O)c(C)o1
InChIInChI=1S/C23H21N3O3/c1-14-7-3-5-9-18(14)23-26-20(15(2)29-23)12-21(27)24-13-17-11-16-8-4-6-10-19(16)25-22(17)28/h3-11H,12-13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyROCJSBFWMMHPTK-UHFFFAOYSA-N
XLogP3.66
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide with MolForge

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Related Compounds

2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680
2-(4-oxo-3H-phthalazin-1-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 139017463
N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110417932
N-[2-(2-hydroxyphenyl)ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110614800
N-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110609935
N-[(2-oxo-1H-quinolin-3-yl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110619588
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110625162
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 129398655
2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 110624732
tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate
CID 71936523
N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619586
3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide
CID 110619584

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The IUPAC name of 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide (CID 110608808) is 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The canonical SMILES for 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide is Cc1ccccc1-c1nc(CC(=O)NCc2cc3ccccc3[nH]c2=O)c(C)o1.
What is the InChIKey of 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The InChIKey is ROCJSBFWMMHPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-14-7-3-5-9-18(14)23-26-20(15(2)29-23)12-21(27)24-13-17-11-16-8-4-6-10-19(16)25-22(17)28/h3-11H,12-13H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide?
2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide has a molecular weight of 387.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide is sourced from PubChem (CID 110608808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).