3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole

C18H21N5O — CID 95345376

IUPAC3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
SMILESCc1cnn(C[C@H]2CCCN2Cc2noc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H21N5O/c1-14-10-19-23(11-14)12-16-8-5-9-22(16)13-17-20-18(24-21-17)15-6-3-2-4-7-15/h2-4,6-7,10-11,16H,5,8-9,12-13H2,1H3/t16-/m1/s1
InChIKeyRSCNWKDGNYVBQO-MRXNPFEDSA-N
MW323.40 g/mol
LogP2.91
Rot. Bonds5

About 3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole

3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 95345376) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
PubChem CID95345376
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
SMILESCc1cnn(C[C@H]2CCCN2Cc2noc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H21N5O/c1-14-10-19-23(11-14)12-16-8-5-9-22(16)13-17-20-18(24-21-17)15-6-3-2-4-7-15/h2-4,6-7,10-11,16H,5,8-9,12-13H2,1H3/t16-/m1/s1
InChIKeyRSCNWKDGNYVBQO-MRXNPFEDSA-N
XLogP2.91
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(2-methylpropyl)-3-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95609560
2-methyl-3-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinoxaline
CID 95611660
3-(2-methoxyethyl)-5-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95609671
4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltriazole
CID 95609652
2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 56780480
5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95352806
3-(2-methoxyethyl)-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95333246
1-benzyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole
CID 95609576
2-[(1S)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 95609505
2-(1-methylpyrazol-4-yl)-4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 56780516
3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780380
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine
CID 63255849

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole (CID 95345376) is 3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole is Cc1cnn(C[C@H]2CCCN2Cc2noc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is RSCNWKDGNYVBQO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N5O/c1-14-10-19-23(11-14)12-16-8-5-9-22(16)13-17-20-18(24-21-17)15-6-3-2-4-7-15/h2-4,6-7,10-11,16H,5,8-9,12-13H2,1H3/t16-/m1/s1.
What are the key properties of 3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole?
3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 323.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 95345376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).