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

C25H23N3O3 — CID 60581120

IUPAC3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4cccnc4)c(C)c3)o2)cc1
InChIInChI=1S/C25H23N3O3/c1-17-5-7-19(8-6-17)23-16-27-25(31-23)12-11-24(29)28-20-9-10-22(18(2)14-20)30-21-4-3-13-26-15-21/h3-10,13-16H,11-12H2,1-2H3,(H,28,29)
InChIKeyLZEROTDGDSMORB-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.72
Rot. Bonds7

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

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide (PubChem CID 60581120) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
PubChem CID60581120
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4cccnc4)c(C)c3)o2)cc1
InChIInChI=1S/C25H23N3O3/c1-17-5-7-19(8-6-17)23-16-27-25(31-23)12-11-24(29)28-20-9-10-22(18(2)14-20)30-21-4-3-13-26-15-21/h3-10,13-16H,11-12H2,1-2H3,(H,28,29)
InChIKeyLZEROTDGDSMORB-UHFFFAOYSA-N
XLogP5.72
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581261
3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581343
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581294
N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422468
N-(3,5-dimethoxyphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422470
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide
CID 119864464
N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 60581340
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581147
N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784923
3-[[5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]oxy]benzamide
CID 60617239
N-[4-(methoxymethyl)phenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 119049686

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide?
The IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide (CID 60581120) is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide.
What is the SMILES notation for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide?
The canonical SMILES for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide is Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4cccnc4)c(C)c3)o2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide?
The InChIKey is LZEROTDGDSMORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-17-5-7-19(8-6-17)23-16-27-25(31-23)12-11-24(29)28-20-9-10-22(18(2)14-20)30-21-4-3-13-26-15-21/h3-10,13-16H,11-12H2,1-2H3,(H,28,29).
What are the key properties of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide?
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide has a molecular weight of 413.48 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide is sourced from PubChem (CID 60581120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).