cyclopropyl-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone

C14H17N3O2 — CID 79096917

IUPACcyclopropyl-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone
SMILESCC(C)c1nc(Cn2ccc(C(=O)C3CC3)c2)no1
InChIInChI=1S/C14H17N3O2/c1-9(2)14-15-12(16-19-14)8-17-6-5-11(7-17)13(18)10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyVMXBEDXLUZPCRA-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.64
Rot. Bonds5

About cyclopropyl-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone

cyclopropyl-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone (PubChem CID 79096917) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is cyclopropyl-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone
PubChem CID79096917
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namecyclopropyl-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone
SMILESCC(C)c1nc(Cn2ccc(C(=O)C3CC3)c2)no1
InChIInChI=1S/C14H17N3O2/c1-9(2)14-15-12(16-19-14)8-17-6-5-11(7-17)13(18)10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyVMXBEDXLUZPCRA-UHFFFAOYSA-N
XLogP2.64
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone with MolForge

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Related Compounds

1-[1-methyl-5-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyrrol-3-yl]ethanone
CID 97344952
[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 164631597
[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 164641152
Cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanone
CID 79097738
1-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]propan-1-one
CID 79098628
1-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]butan-1-one
CID 79105010
1-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]-2-methylpropan-1-one
CID 79109755
2,2,2-Trifluoro-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]ethanone
CID 81600704
1-[1-[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]-2,2,2-trifluoroethanone
CID 81600781
2,2,2-Trifluoro-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]ethanone
CID 81600787
2,2,2-Trifluoro-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]ethanone
CID 81600790
1-[1-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]-2,2,2-trifluoroethanone
CID 81601006

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone (CID 79096917) is cyclopropyl-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone is CC(C)c1nc(Cn2ccc(C(=O)C3CC3)c2)no1.
What is the InChIKey of cyclopropyl-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone?
The InChIKey is VMXBEDXLUZPCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(2)14-15-12(16-19-14)8-17-6-5-11(7-17)13(18)10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of cyclopropyl-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone?
cyclopropyl-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone has a molecular weight of 259.31 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone is sourced from PubChem (CID 79096917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).