2-[(4-fluorophenoxy)methyl]-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide

C18H20FN3O4 — CID 95204805

IUPAC2-[(4-fluorophenoxy)methyl]-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESCCCN1C[C@@H](NC(=O)c2coc(COc3ccc(F)cc3)n2)CC1=O
InChIInChI=1S/C18H20FN3O4/c1-2-7-22-9-13(8-17(22)23)20-18(24)15-10-26-16(21-15)11-25-14-5-3-12(19)4-6-14/h3-6,10,13H,2,7-9,11H2,1H3,(H,20,24)/t13-/m0/s1
InChIKeyJBHSTPDMFWOZPN-ZDUSSCGKSA-N
MW361.37 g/mol
LogP2.13
Rot. Bonds7

About 2-[(4-fluorophenoxy)methyl]-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide

2-[(4-fluorophenoxy)methyl]-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 95204805) has the molecular formula C18H20FN3O4 and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID95204805
Molecular FormulaC18H20FN3O4
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name2-[(4-fluorophenoxy)methyl]-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESCCCN1C[C@@H](NC(=O)c2coc(COc3ccc(F)cc3)n2)CC1=O
InChIInChI=1S/C18H20FN3O4/c1-2-7-22-9-13(8-17(22)23)20-18(24)15-10-26-16(21-15)11-25-14-5-3-12(19)4-6-14/h3-6,10,13H,2,7-9,11H2,1H3,(H,20,24)/t13-/m0/s1
InChIKeyJBHSTPDMFWOZPN-ZDUSSCGKSA-N
XLogP2.13
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenoxy)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 56746715
2-[(4-fluorophenoxy)methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,3-oxazole-4-carboxamide
CID 42216036
5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
CID 56757095
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 42345548
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
CID 42189825
N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42123595
N-(dicyclopropylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 25375834
3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 136772131
[2-[(4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 25446692
2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide
CID 131923221
2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 133131779
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
CID 56720229

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide (CID 95204805) is 2-[(4-fluorophenoxy)methyl]-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide is CCCN1C[C@@H](NC(=O)c2coc(COc3ccc(F)cc3)n2)CC1=O.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is JBHSTPDMFWOZPN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20FN3O4/c1-2-7-22-9-13(8-17(22)23)20-18(24)15-10-26-16(21-15)11-25-14-5-3-12(19)4-6-14/h3-6,10,13H,2,7-9,11H2,1H3,(H,20,24)/t13-/m0/s1.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
2-[(4-fluorophenoxy)methyl]-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 361.37 g/mol, XLogP of 2.13, 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-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 95204805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).