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

C16H23F2N3O2 — CID 159011022

IUPAC5-cyclopropyl-N-[(3S,4R)-1-(3,3-difluorobutan-2-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC(N1C[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)on2)C1)C(C)(F)F
InChIInChI=1S/C16H23F2N3O2/c1-9-7-21(10(2)16(3,17)18)8-13(9)19-15(22)12-6-14(23-20-12)11-4-5-11/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,19,22)/t9-,10?,13-/m1/s1
InChIKeyRHHAEIWKPKWWGU-NDAPUWOLSA-N
MW327.38 g/mol
LogP2.65
Rot. Bonds5

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

5-cyclopropyl-N-[(3S,4R)-1-(3,3-difluorobutan-2-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 159011022) has the molecular formula C16H23F2N3O2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S,4R)-1-(3,3-difluorobutan-2-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3S,4R)-1-(3,3-difluorobutan-2-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID159011022
Molecular FormulaC16H23F2N3O2
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Name5-cyclopropyl-N-[(3S,4R)-1-(3,3-difluorobutan-2-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC(N1C[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)on2)C1)C(C)(F)F
InChIInChI=1S/C16H23F2N3O2/c1-9-7-21(10(2)16(3,17)18)8-13(9)19-15(22)12-6-14(23-20-12)11-4-5-11/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,19,22)/t9-,10?,13-/m1/s1
InChIKeyRHHAEIWKPKWWGU-NDAPUWOLSA-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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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3S,4R)-1-(3,3-difluorobutan-2-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3S,4R)-1-(3,3-difluorobutan-2-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 159011022) is 5-cyclopropyl-N-[(3S,4R)-1-(3,3-difluorobutan-2-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3S,4R)-1-(3,3-difluorobutan-2-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3S,4R)-1-(3,3-difluorobutan-2-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is CC(N1C[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)on2)C1)C(C)(F)F.
What is the InChIKey of 5-cyclopropyl-N-[(3S,4R)-1-(3,3-difluorobutan-2-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is RHHAEIWKPKWWGU-NDAPUWOLSA-N. The full InChI is InChI=1S/C16H23F2N3O2/c1-9-7-21(10(2)16(3,17)18)8-13(9)19-15(22)12-6-14(23-20-12)11-4-5-11/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,19,22)/t9-,10?,13-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(3S,4R)-1-(3,3-difluorobutan-2-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(3S,4R)-1-(3,3-difluorobutan-2-yl)-4-methylpyrrolidin-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)-1-(3,3-difluorobutan-2-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 159011022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).