2-[(4-fluorophenoxy)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide

C17H18FN3O4 — CID 56746715

IUPAC2-[(4-fluorophenoxy)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCN1CCCC1=O)c1coc(COc2ccc(F)cc2)n1
InChIInChI=1S/C17H18FN3O4/c18-12-3-5-13(6-4-12)24-11-15-20-14(10-25-15)17(23)19-7-9-21-8-1-2-16(21)22/h3-6,10H,1-2,7-9,11H2,(H,19,23)
InChIKeyWMANUYRGSZSQGD-UHFFFAOYSA-N
MW347.35 g/mol
LogP1.74
Rot. Bonds7

About 2-[(4-fluorophenoxy)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide

2-[(4-fluorophenoxy)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 56746715) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID56746715
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name2-[(4-fluorophenoxy)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCN1CCCC1=O)c1coc(COc2ccc(F)cc2)n1
InChIInChI=1S/C17H18FN3O4/c18-12-3-5-13(6-4-12)24-11-15-20-14(10-25-15)17(23)19-7-9-21-8-1-2-16(21)22/h3-6,10H,1-2,7-9,11H2,(H,19,23)
InChIKeyWMANUYRGSZSQGD-UHFFFAOYSA-N
XLogP1.74
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenoxy)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]-1,3-oxazole-4-carboxamide
CID 42395827
2-[(4-fluorophenoxy)methyl]-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 95204805
2-[(4-fluorophenoxy)methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,3-oxazole-4-carboxamide
CID 42216036
1-(4-fluorophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazole-3-carboxamide
CID 39515050
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(2-piperidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 42857996
2-[(4-chlorophenoxy)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 30892188
2-[(3-fluorophenoxy)methyl]-N-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 26411631
N-(3-hydroxybutyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 56713301
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3870656
[2-[(4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 42591515
N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 110743641
2-[(3-fluorophenoxy)methyl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 26331295

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide (CID 56746715) is 2-[(4-fluorophenoxy)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide is O=C(NCCN1CCCC1=O)c1coc(COc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is WMANUYRGSZSQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c18-12-3-5-13(6-4-12)24-11-15-20-14(10-25-15)17(23)19-7-9-21-8-1-2-16(21)22/h3-6,10H,1-2,7-9,11H2,(H,19,23).
What are the key properties of 2-[(4-fluorophenoxy)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide?
2-[(4-fluorophenoxy)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56746715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).