3-[(2S)-1-[[5-[1-(3-fluoropropyl)pyrazol-3-yl]furan-2-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole

C18H22FN5O2 — CID 31104144

IUPAC3-[(2S)-1-[[5-[1-(3-fluoropropyl)pyrazol-3-yl]furan-2-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1[C@@H]1CCCN1Cc1ccc(-c2ccn(CCCF)n2)o1
InChIInChI=1S/C18H22FN5O2/c1-13-18(22-26-21-13)16-4-2-9-23(16)12-14-5-6-17(25-14)15-7-11-24(20-15)10-3-8-19/h5-7,11,16H,2-4,8-10,12H2,1H3/t16-/m0/s1
InChIKeyCEGXOACSVNOKIM-INIZCTEOSA-N
MW359.41 g/mol
LogP3.53
Rot. Bonds7

About 3-[(2S)-1-[[5-[1-(3-fluoropropyl)pyrazol-3-yl]furan-2-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole

3-[(2S)-1-[[5-[1-(3-fluoropropyl)pyrazol-3-yl]furan-2-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole (PubChem CID 31104144) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 3-[(2S)-1-[[5-[1-(3-fluoropropyl)pyrazol-3-yl]furan-2-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[(2S)-1-[[5-[1-(3-fluoropropyl)pyrazol-3-yl]furan-2-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
PubChem CID31104144
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name3-[(2S)-1-[[5-[1-(3-fluoropropyl)pyrazol-3-yl]furan-2-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1[C@@H]1CCCN1Cc1ccc(-c2ccn(CCCF)n2)o1
InChIInChI=1S/C18H22FN5O2/c1-13-18(22-26-21-13)16-4-2-9-23(16)12-14-5-6-17(25-14)15-7-11-24(20-15)10-3-8-19/h5-7,11,16H,2-4,8-10,12H2,1H3/t16-/m0/s1
InChIKeyCEGXOACSVNOKIM-INIZCTEOSA-N
XLogP3.53
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[[5-[1-(3-fluoropropyl)pyrazol-3-yl]furan-2-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-[(2S)-1-[[5-[1-(3-fluoropropyl)pyrazol-3-yl]furan-2-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole (CID 31104144) is 3-[(2S)-1-[[5-[1-(3-fluoropropyl)pyrazol-3-yl]furan-2-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-[(2S)-1-[[5-[1-(3-fluoropropyl)pyrazol-3-yl]furan-2-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-[(2S)-1-[[5-[1-(3-fluoropropyl)pyrazol-3-yl]furan-2-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole is Cc1nonc1[C@@H]1CCCN1Cc1ccc(-c2ccn(CCCF)n2)o1.
What is the InChIKey of 3-[(2S)-1-[[5-[1-(3-fluoropropyl)pyrazol-3-yl]furan-2-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole?
The InChIKey is CEGXOACSVNOKIM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-13-18(22-26-21-13)16-4-2-9-23(16)12-14-5-6-17(25-14)15-7-11-24(20-15)10-3-8-19/h5-7,11,16H,2-4,8-10,12H2,1H3/t16-/m0/s1.
What are the key properties of 3-[(2S)-1-[[5-[1-(3-fluoropropyl)pyrazol-3-yl]furan-2-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole?
3-[(2S)-1-[[5-[1-(3-fluoropropyl)pyrazol-3-yl]furan-2-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole has a molecular weight of 359.41 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[[5-[1-(3-fluoropropyl)pyrazol-3-yl]furan-2-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 31104144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).