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

C14H21N5O — CID 56780450

IUPAC5-propan-2-yl-3-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)c1nc(CN2CCCC2Cn2cccn2)no1
InChIInChI=1S/C14H21N5O/c1-11(2)14-16-13(17-20-14)10-18-7-3-5-12(18)9-19-8-4-6-15-19/h4,6,8,11-12H,3,5,7,9-10H2,1-2H3
InChIKeyNGXGOEVUCZSBHH-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.05
Rot. Bonds5

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

5-propan-2-yl-3-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 56780450) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 5-propan-2-yl-3-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-propan-2-yl-3-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID56780450
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name5-propan-2-yl-3-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)c1nc(CN2CCCC2Cn2cccn2)no1
InChIInChI=1S/C14H21N5O/c1-11(2)14-16-13(17-20-14)10-18-7-3-5-12(18)9-19-8-4-6-15-19/h4,6,8,11-12H,3,5,7,9-10H2,1-2H3
InChIKeyNGXGOEVUCZSBHH-UHFFFAOYSA-N
XLogP2.05
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
CID 45818483
4-[(5-Propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53557636
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 53564386
3-Propyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 53592816
5-Ethyl-3-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 53597774
5-Cyclopropyl-3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53598745
3-Cyclopropyl-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53601435
3-(2-Methoxyethyl)-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53604518
3-(2-Methoxyethyl)-5-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53618926
5-Cyclopropyl-3-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53619029
1-[2-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 53623480
5-Cyclopropyl-3-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53625998

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-propan-2-yl-3-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 56780450) is 5-propan-2-yl-3-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-propan-2-yl-3-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-propan-2-yl-3-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is CC(C)c1nc(CN2CCCC2Cn2cccn2)no1.
What is the InChIKey of 5-propan-2-yl-3-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is NGXGOEVUCZSBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11(2)14-16-13(17-20-14)10-18-7-3-5-12(18)9-19-8-4-6-15-19/h4,6,8,11-12H,3,5,7,9-10H2,1-2H3.
What are the key properties of 5-propan-2-yl-3-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
5-propan-2-yl-3-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 275.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56780450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).