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

C16H23N5O — CID 56780714

IUPAC3-cyclopropyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1C1CCCN1Cc1nc(C2CC2)no1
InChIInChI=1S/C16H23N5O/c1-10-15(11(2)20(3)18-10)13-5-4-8-21(13)9-14-17-16(19-22-14)12-6-7-12/h12-13H,4-9H2,1-3H3
InChIKeyKPCHTUZXTAUTMT-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.63
Rot. Bonds4

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

3-cyclopropyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 56780714) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID56780714
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-cyclopropyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1C1CCCN1Cc1nc(C2CC2)no1
InChIInChI=1S/C16H23N5O/c1-10-15(11(2)20(3)18-10)13-5-4-8-21(13)9-14-17-16(19-22-14)12-6-7-12/h12-13H,4-9H2,1-3H3
InChIKeyKPCHTUZXTAUTMT-UHFFFAOYSA-N
XLogP2.63
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 16191178
3-(2-Methoxyethyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780730
3-Cyclopropyl-4-methyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole
CID 72043879
2-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 72122797
3-Cyclopropyl-5-[[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 72141489
5-[[2-(5-Chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 72141554
3-[[2-(5-Chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 72141571
5-[[2-(5-Chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 72141591
3-[[2-(5-Chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 72141599
5-Cyclopropyl-3-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 72141636
1-[2-Methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 91911328
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanamide
CID 56865182

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 56780714) is 3-cyclopropyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1nn(C)c(C)c1C1CCCN1Cc1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is KPCHTUZXTAUTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-10-15(11(2)20(3)18-10)13-5-4-8-21(13)9-14-17-16(19-22-14)12-6-7-12/h12-13H,4-9H2,1-3H3.
What are the key properties of 3-cyclopropyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 301.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56780714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).