1-[2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide

C20H23FN4O4 — CID 56534246

IUPAC1-[2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)CCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H23FN4O4/c1-22-20(28)15-3-2-10-25(15)19(27)12-23-17(26)8-9-18-24-11-16(29-18)13-4-6-14(21)7-5-13/h4-7,11,15H,2-3,8-10,12H2,1H3,(H,22,28)(H,23,26)
InChIKeyFLBRDGRGYHDTIK-UHFFFAOYSA-N
MW402.43 g/mol
LogP1.27
Rot. Bonds7

About 1-[2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide

1-[2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 56534246) has the molecular formula C20H23FN4O4 and a molecular weight of 402.43 g/mol. Its IUPAC name is 1-[2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID56534246
Molecular FormulaC20H23FN4O4
Molecular Weight402.43 g/mol
Exact Mass402.17
IUPAC Name1-[2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)CCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H23FN4O4/c1-22-20(28)15-3-2-10-25(15)19(27)12-23-17(26)8-9-18-24-11-16(29-18)13-4-6-14(21)7-5-13/h4-7,11,15H,2-3,8-10,12H2,1H3,(H,22,28)(H,23,26)
InChIKeyFLBRDGRGYHDTIK-UHFFFAOYSA-N
XLogP1.27
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56544319
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 86848666
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 94556875
(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365584
1-[2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56544353
1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid
CID 119136265
N-[2-(4-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 30698610
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 18163915
N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 95733913
1-[2-(3-bromophenyl)pyrrolidin-1-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 55889460
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119650098
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 46511214

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide (CID 56534246) is 1-[2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)CNC(=O)CCc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of 1-[2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is FLBRDGRGYHDTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O4/c1-22-20(28)15-3-2-10-25(15)19(27)12-23-17(26)8-9-18-24-11-16(29-18)13-4-6-14(21)7-5-13/h4-7,11,15H,2-3,8-10,12H2,1H3,(H,22,28)(H,23,26).
What are the key properties of 1-[2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56534246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).