3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methyl-1H-imidazol-2-one

C22H23N5O3 — CID 71243547

IUPAC3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methyl-1H-imidazol-2-one
SMILESCCOCc1ccc(C)c(Nc2ncc(-c3ccnc(-n4cc(C)[nH]c4=O)c3)o2)c1
InChIInChI=1S/C22H23N5O3/c1-4-29-13-16-6-5-14(2)18(9-16)26-21-24-11-19(30-21)17-7-8-23-20(10-17)27-12-15(3)25-22(27)28/h5-12H,4,13H2,1-3H3,(H,24,26)(H,25,28)
InChIKeyDKZUXLJLKMEXSS-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.11
Rot. Bonds7

About 3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methyl-1H-imidazol-2-one

3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methyl-1H-imidazol-2-one (PubChem CID 71243547) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methyl-1H-imidazol-2-one
PubChem CID71243547
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methyl-1H-imidazol-2-one
SMILESCCOCc1ccc(C)c(Nc2ncc(-c3ccnc(-n4cc(C)[nH]c4=O)c3)o2)c1
InChIInChI=1S/C22H23N5O3/c1-4-29-13-16-6-5-14(2)18(9-16)26-21-24-11-19(30-21)17-7-8-23-20(10-17)27-12-15(3)25-22(27)28/h5-12H,4,13H2,1-3H3,(H,24,26)(H,25,28)
InChIKeyDKZUXLJLKMEXSS-UHFFFAOYSA-N
XLogP4.11
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methyl-1H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[3-[4-[2-(1,3-oxazol-2-yl)phenyl]piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10526831
N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 876172
2,2-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 3163534
N-(2-methyl-5-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)hexanamide
CID 15991176
N-(2-Methyl-5-oxazolo[4,5-b]pyridin-2-yl-phenyl)-butyramide
CID 718615
2-[3-(Oxazol-5-yl)phenylamino]-6-(3-acetamidophenyl)pyrazine
CID 11574273
Aminoxazole 23
CID 5329403
N-[2-methyl-5-(2-oxazolo[4,5-b]pyridinyl)phenyl]-2-phenoxyacetamide
CID 9550495
5-fluoro-4-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-N-[3-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine
CID 122180038
N-(2-Methyl-5-oxazolo[4,5-b]pyridin-2-yl-phenyl)-isobutyramide
CID 694849
N-(2-methyl-5-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)pentanamide
CID 2284890
N-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]acetamide
CID 139441299

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methyl-1H-imidazol-2-one?
The IUPAC name of 3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methyl-1H-imidazol-2-one (CID 71243547) is 3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methyl-1H-imidazol-2-one is CCOCc1ccc(C)c(Nc2ncc(-c3ccnc(-n4cc(C)[nH]c4=O)c3)o2)c1.
What is the InChIKey of 3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methyl-1H-imidazol-2-one?
The InChIKey is DKZUXLJLKMEXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-4-29-13-16-6-5-14(2)18(9-16)26-21-24-11-19(30-21)17-7-8-23-20(10-17)27-12-15(3)25-22(27)28/h5-12H,4,13H2,1-3H3,(H,24,26)(H,25,28).
What are the key properties of 3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methyl-1H-imidazol-2-one?
3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methyl-1H-imidazol-2-one has a molecular weight of 405.46 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methyl-1H-imidazol-2-one is sourced from PubChem (CID 71243547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).