5-cyclopropyl-N-[(3S,4R)-4-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C16H23F2N3O2 — CID 157394551

IUPAC5-cyclopropyl-N-[(3S,4R)-4-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)N1C[C@@H](C(C)(F)F)[C@H](NC(=O)c2cc(C3CC3)on2)C1
InChIInChI=1S/C16H23F2N3O2/c1-9(2)21-7-11(16(3,17)18)13(8-21)19-15(22)12-6-14(23-20-12)10-4-5-10/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,19,22)/t11-,13-/m1/s1
InChIKeyNBCFXZDYDNUFAS-DGCLKSJQSA-N
MW327.38 g/mol
LogP2.65
Rot. Bonds5

About 5-cyclopropyl-N-[(3S,4R)-4-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(3S,4R)-4-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 157394551) has the molecular formula C16H23F2N3O2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S,4R)-4-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3S,4R)-4-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID157394551
Molecular FormulaC16H23F2N3O2
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Name5-cyclopropyl-N-[(3S,4R)-4-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)N1C[C@@H](C(C)(F)F)[C@H](NC(=O)c2cc(C3CC3)on2)C1
InChIInChI=1S/C16H23F2N3O2/c1-9(2)21-7-11(16(3,17)18)13(8-21)19-15(22)12-6-14(23-20-12)10-4-5-10/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,19,22)/t11-,13-/m1/s1
InChIKeyNBCFXZDYDNUFAS-DGCLKSJQSA-N
XLogP2.65
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-[(3S,4R)-1-(3,3-difluorobutan-2-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 159011022
5-(azetidin-3-yl)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386630
5-cyclopropyl-N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395208
5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386667
5-cyclopropyl-N-(4-ethyl-1-methylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130386528
5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395206
5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395322
5-cyclopropyl-N-(1,2-dimethylpiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130188089
N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395230
N-(1-cyclopentyl-4-methylpyrrolidin-3-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130386267
5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(1-phenylpropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386614
5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386779

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3S,4R)-4-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3S,4R)-4-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 157394551) is 5-cyclopropyl-N-[(3S,4R)-4-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3S,4R)-4-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3S,4R)-4-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is CC(C)N1C[C@@H](C(C)(F)F)[C@H](NC(=O)c2cc(C3CC3)on2)C1.
What is the InChIKey of 5-cyclopropyl-N-[(3S,4R)-4-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is NBCFXZDYDNUFAS-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H23F2N3O2/c1-9(2)21-7-11(16(3,17)18)13(8-21)19-15(22)12-6-14(23-20-12)10-4-5-10/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,19,22)/t11-,13-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(3S,4R)-4-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(3S,4R)-4-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3S,4R)-4-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 157394551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).