N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

C20H20FN3O2S — CID 55889281

IUPACN-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C20H20FN3O2S/c1-13-16(23-20(26-13)18-5-4-10-27-18)12-19(25)22-14-6-7-17(15(21)11-14)24-8-2-3-9-24/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,22,25)
InChIKeyDGJQONYDMCDRSV-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.63
Rot. Bonds5

About N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 55889281) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
PubChem CID55889281
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC NameN-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C20H20FN3O2S/c1-13-16(23-20(26-13)18-5-4-10-27-18)12-19(25)22-14-6-7-17(15(21)11-14)24-8-2-3-9-24/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,22,25)
InChIKeyDGJQONYDMCDRSV-UHFFFAOYSA-N
XLogP4.63
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701072
N-(4-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31780131
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 31046848
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 31703372
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627396
N-(4-chloro-2-fluorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31938329
N-(3-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31779101
N-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627594
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 24627592
N-(4-methyl-2-oxochromen-7-yl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 42937652
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 46514320
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 46542401

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 55889281) is N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is DGJQONYDMCDRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-13-16(23-20(26-13)18-5-4-10-27-18)12-19(25)22-14-6-7-17(15(21)11-14)24-8-2-3-9-24/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,22,25).
What are the key properties of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 385.46 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 55889281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).