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

C22H22FN3O2 — CID 110425935

IUPAC2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1oc(-c2ccccc2F)nc1CC(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C22H22FN3O2/c1-15-20(25-22(28-15)18-9-2-3-10-19(18)23)14-21(27)24-16-7-6-8-17(13-16)26-11-4-5-12-26/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,24,27)
InChIKeyJIGWZMZKOLXCCN-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.57
Rot. Bonds5

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

2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 110425935) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
PubChem CID110425935
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1oc(-c2ccccc2F)nc1CC(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C22H22FN3O2/c1-15-20(25-22(28-15)18-9-2-3-10-19(18)23)14-21(27)24-16-7-6-8-17(13-16)26-11-4-5-12-26/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,24,27)
InChIKeyJIGWZMZKOLXCCN-UHFFFAOYSA-N
XLogP4.57
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 110425941
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
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 55889281
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-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-cyanophenyl)acetamide
CID 110428440
methyl 3-[[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]benzoate
CID 110424102
N-(2,4-dimethoxyphenyl)-2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356056
N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide
CID 110354604
N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110428837
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 24627592

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide (CID 110425935) is 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide is Cc1oc(-c2ccccc2F)nc1CC(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is JIGWZMZKOLXCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-15-20(25-22(28-15)18-9-2-3-10-19(18)23)14-21(27)24-16-7-6-8-17(13-16)26-11-4-5-12-26/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,24,27).
What are the key properties of 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide?
2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 379.44 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110425935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).