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

C14H19N5O — CID 95323445

IUPAC3-cyclopropyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1cnn(C[C@@H]2CCCN2Cc2nc(C3CC3)no2)c1
InChIInChI=1S/C14H19N5O/c1-3-12(9-19-8-2-6-15-19)18(7-1)10-13-16-14(17-20-13)11-4-5-11/h2,6,8,11-12H,1,3-5,7,9-10H2/t12-/m0/s1
InChIKeySIAATLNORREQMJ-LBPRGKRZSA-N
MW273.34 g/mol
LogP1.81
Rot. Bonds5

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

3-cyclopropyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 95323445) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID95323445
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-cyclopropyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1cnn(C[C@@H]2CCCN2Cc2nc(C3CC3)no2)c1
InChIInChI=1S/C14H19N5O/c1-3-12(9-19-8-2-6-15-19)18(7-1)10-13-16-14(17-20-13)11-4-5-11/h2,6,8,11-12H,1,3-5,7,9-10H2/t12-/m0/s1
InChIKeySIAATLNORREQMJ-LBPRGKRZSA-N
XLogP1.81
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-cyclopropyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95308426
3-(furan-2-yl)-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95326462
[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 62015735
3-cyclopropyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95342388
N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 63848343
1-[[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]methyl]pyrazole
CID 95308122
2-(4-chlorophenyl)-5-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95609308
5-tert-butyl-2-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole
CID 95609203
3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95293109
2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95331994
(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine
CID 95327720
5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]thiadiazole
CID 95338508

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 95323445) is 3-cyclopropyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is c1cnn(C[C@@H]2CCCN2Cc2nc(C3CC3)no2)c1.
What is the InChIKey of 3-cyclopropyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is SIAATLNORREQMJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-12(9-19-8-2-6-15-19)18(7-1)10-13-16-14(17-20-13)11-4-5-11/h2,6,8,11-12H,1,3-5,7,9-10H2/t12-/m0/s1.
What are the key properties of 3-cyclopropyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95323445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).