N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C15H15F2N3O3 — CID 124565166

IUPACN-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccon1
InChIInChI=1S/C15H15F2N3O3/c16-15(17)23-13-4-2-1-3-12(13)20-7-5-10(9-20)18-14(21)11-6-8-22-19-11/h1-4,6,8,10,15H,5,7,9H2,(H,18,21)/t10-/m1/s1
InChIKeyKGAIZZYYYBXMRX-SNVBAGLBSA-N
MW323.30 g/mol
LogP2.28
Rot. Bonds5

About N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 124565166) has the molecular formula C15H15F2N3O3 and a molecular weight of 323.30 g/mol. Its IUPAC name is N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID124565166
Molecular FormulaC15H15F2N3O3
Molecular Weight323.30 g/mol
Exact Mass323.11
IUPAC NameN-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccon1
InChIInChI=1S/C15H15F2N3O3/c16-15(17)23-13-4-2-1-3-12(13)20-7-5-10(9-20)18-14(21)11-6-8-22-19-11/h1-4,6,8,10,15H,5,7,9H2,(H,18,21)/t10-/m1/s1
InChIKeyKGAIZZYYYBXMRX-SNVBAGLBSA-N
XLogP2.28
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide
CID 95629122
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide
CID 56791669
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 86963331
(1R,2S,4R)-N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124858948
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 91646113
2-(2-aminoethyl)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646610
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide
CID 86963309
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86963270
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119882938
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 136526255
N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide
CID 124564998
7-amino-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]heptanamide;dihydrochloride
CID 119882877

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 124565166) is N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccon1.
What is the InChIKey of N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is KGAIZZYYYBXMRX-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15F2N3O3/c16-15(17)23-13-4-2-1-3-12(13)20-7-5-10(9-20)18-14(21)11-6-8-22-19-11/h1-4,6,8,10,15H,5,7,9H2,(H,18,21)/t10-/m1/s1.
What are the key properties of N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 323.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 124565166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).