N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide

C23H22FN3O4 — CID 86939628

IUPACN-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(N4CCCC4=O)c(F)c3)o2)cc1
InChIInChI=1S/C23H22FN3O4/c1-30-17-7-4-15(5-8-17)20-14-25-22(31-20)11-10-21(28)26-16-6-9-19(18(24)13-16)27-12-2-3-23(27)29/h4-9,13-14H,2-3,10-12H2,1H3,(H,26,28)
InChIKeyWMSNHJWFKOFNOH-UHFFFAOYSA-N
MW423.44 g/mol
LogP4.19
Rot. Bonds7

About N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide

N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 86939628) has the molecular formula C23H22FN3O4 and a molecular weight of 423.44 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID86939628
Molecular FormulaC23H22FN3O4
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC NameN-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(N4CCCC4=O)c(F)c3)o2)cc1
InChIInChI=1S/C23H22FN3O4/c1-30-17-7-4-15(5-8-17)20-14-25-22(31-20)11-10-21(28)26-16-6-9-19(18(24)13-16)27-12-2-3-23(27)29/h4-9,13-14H,2-3,10-12H2,1H3,(H,26,28)
InChIKeyWMSNHJWFKOFNOH-UHFFFAOYSA-N
XLogP4.19
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
CID 55890052
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38937830
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)propanamide
CID 17437982
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 24601143
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 86939565
N-(3,5-dimethoxyphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422470
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 7687070
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 86965315
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 16593798
N-(3-chloro-4-methoxyphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591918
4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 46689015
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55625507

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide (CID 86939628) is N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide is COc1ccc(-c2cnc(CCC(=O)Nc3ccc(N4CCCC4=O)c(F)c3)o2)cc1.
What is the InChIKey of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is WMSNHJWFKOFNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4/c1-30-17-7-4-15(5-8-17)20-14-25-22(31-20)11-10-21(28)26-16-6-9-19(18(24)13-16)27-12-2-3-23(27)29/h4-9,13-14H,2-3,10-12H2,1H3,(H,26,28).
What are the key properties of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 423.44 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 86939628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).