2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide

C23H25N3O3 — CID 110425941

IUPAC2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
SMILESCOc1ccccc1-c1nc(CC(=O)Nc2cccc(N3CCCC3)c2)c(C)o1
InChIInChI=1S/C23H25N3O3/c1-16-20(25-23(29-16)19-10-3-4-11-21(19)28-2)15-22(27)24-17-8-7-9-18(14-17)26-12-5-6-13-26/h3-4,7-11,14H,5-6,12-13,15H2,1-2H3,(H,24,27)
InChIKeyUENKPGUHXIPWAY-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.44
Rot. Bonds6

About 2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide

2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 110425941) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
PubChem CID110425941
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
SMILESCOc1ccccc1-c1nc(CC(=O)Nc2cccc(N3CCCC3)c2)c(C)o1
InChIInChI=1S/C23H25N3O3/c1-16-20(25-23(29-16)19-10-3-4-11-21(19)28-2)15-22(27)24-17-8-7-9-18(14-17)26-12-5-6-13-26/h3-4,7-11,14H,5-6,12-13,15H2,1-2H3,(H,24,27)
InChIKeyUENKPGUHXIPWAY-UHFFFAOYSA-N
XLogP4.44
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 110425935
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110420645
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110421860
N-[4-(dimethylamino)phenyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110424650
N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110428837
2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(3-morpholin-4-ylphenyl)acetamide
CID 110426261
N-(3,4-dimethoxyphenyl)-2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356063
methyl 3-[[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]benzoate
CID 110424102
2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-cyanophenyl)acetamide
CID 110428440
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110412894
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 56507705
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
CID 110630222

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide (CID 110425941) is 2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide is COc1ccccc1-c1nc(CC(=O)Nc2cccc(N3CCCC3)c2)c(C)o1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is UENKPGUHXIPWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-20(25-23(29-16)19-10-3-4-11-21(19)28-2)15-22(27)24-17-8-7-9-18(14-17)26-12-5-6-13-26/h3-4,7-11,14H,5-6,12-13,15H2,1-2H3,(H,24,27).
What are the key properties of 2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide?
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 391.47 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110425941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).