5-(2-chlorophenyl)-N-[(2R,3R)-1-[(1S,2R)-2-fluorocyclopropanecarbonyl]-2-methylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide

C19H19ClFN3O3 — CID 167750331

IUPAC5-(2-chlorophenyl)-N-[(2R,3R)-1-[(1S,2R)-2-fluorocyclopropanecarbonyl]-2-methylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H]1[C@H](NC(=O)c2ncoc2-c2ccccc2Cl)CCN1C(=O)[C@@H]1C[C@H]1F
InChIInChI=1S/C19H19ClFN3O3/c1-10-15(6-7-24(10)19(26)12-8-14(12)21)23-18(25)16-17(27-9-22-16)11-4-2-3-5-13(11)20/h2-5,9-10,12,14-15H,6-8H2,1H3,(H,23,25)/t10-,12-,14-,15-/m1/s1
InChIKeyVEKXMNYJUGSVPO-PZTHBURQSA-N
MW391.83 g/mol
LogP3.07
Rot. Bonds4

About 5-(2-chlorophenyl)-N-[(2R,3R)-1-[(1S,2R)-2-fluorocyclopropanecarbonyl]-2-methylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide

5-(2-chlorophenyl)-N-[(2R,3R)-1-[(1S,2R)-2-fluorocyclopropanecarbonyl]-2-methylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 167750331) has the molecular formula C19H19ClFN3O3 and a molecular weight of 391.83 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[(2R,3R)-1-[(1S,2R)-2-fluorocyclopropanecarbonyl]-2-methylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[(2R,3R)-1-[(1S,2R)-2-fluorocyclopropanecarbonyl]-2-methylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID167750331
Molecular FormulaC19H19ClFN3O3
Molecular Weight391.83 g/mol
Exact Mass391.11
IUPAC Name5-(2-chlorophenyl)-N-[(2R,3R)-1-[(1S,2R)-2-fluorocyclopropanecarbonyl]-2-methylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H]1[C@H](NC(=O)c2ncoc2-c2ccccc2Cl)CCN1C(=O)[C@@H]1C[C@H]1F
InChIInChI=1S/C19H19ClFN3O3/c1-10-15(6-7-24(10)19(26)12-8-14(12)21)23-18(25)16-17(27-9-22-16)11-4-2-3-5-13(11)20/h2-5,9-10,12,14-15H,6-8H2,1H3,(H,23,25)/t10-,12-,14-,15-/m1/s1
InChIKeyVEKXMNYJUGSVPO-PZTHBURQSA-N
XLogP3.07
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[(2R,3R)-1-[(1S,2R)-2-fluorocyclopropanecarbonyl]-2-methylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[(2R,3R)-1-[(1S,2R)-2-fluorocyclopropanecarbonyl]-2-methylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide (CID 167750331) is 5-(2-chlorophenyl)-N-[(2R,3R)-1-[(1S,2R)-2-fluorocyclopropanecarbonyl]-2-methylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[(2R,3R)-1-[(1S,2R)-2-fluorocyclopropanecarbonyl]-2-methylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[(2R,3R)-1-[(1S,2R)-2-fluorocyclopropanecarbonyl]-2-methylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide is C[C@@H]1[C@H](NC(=O)c2ncoc2-c2ccccc2Cl)CCN1C(=O)[C@@H]1C[C@H]1F.
What is the InChIKey of 5-(2-chlorophenyl)-N-[(2R,3R)-1-[(1S,2R)-2-fluorocyclopropanecarbonyl]-2-methylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is VEKXMNYJUGSVPO-PZTHBURQSA-N. The full InChI is InChI=1S/C19H19ClFN3O3/c1-10-15(6-7-24(10)19(26)12-8-14(12)21)23-18(25)16-17(27-9-22-16)11-4-2-3-5-13(11)20/h2-5,9-10,12,14-15H,6-8H2,1H3,(H,23,25)/t10-,12-,14-,15-/m1/s1.
What are the key properties of 5-(2-chlorophenyl)-N-[(2R,3R)-1-[(1S,2R)-2-fluorocyclopropanecarbonyl]-2-methylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
5-(2-chlorophenyl)-N-[(2R,3R)-1-[(1S,2R)-2-fluorocyclopropanecarbonyl]-2-methylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 391.83 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[(2R,3R)-1-[(1S,2R)-2-fluorocyclopropanecarbonyl]-2-methylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167750331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).