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

C19H23N5O — CID 95609505

IUPAC2-[(1S)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1cnn(C[C@H]2CCCN2[C@@H](C)c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C19H23N5O/c1-14-11-20-23(12-14)13-17-9-6-10-24(17)15(2)18-21-22-19(25-18)16-7-4-3-5-8-16/h3-5,7-8,11-12,15,17H,6,9-10,13H2,1-2H3/t15-,17+/m0/s1
InChIKeyMAJDFVQLQAOAFA-DOTOQJQBSA-N
MW337.43 g/mol
LogP3.47
Rot. Bonds5

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

2-[(1S)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 95609505) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-[(1S)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1S)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID95609505
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-[(1S)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1cnn(C[C@H]2CCCN2[C@@H](C)c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C19H23N5O/c1-14-11-20-23(12-14)13-17-9-6-10-24(17)15(2)18-21-22-19(25-18)16-7-4-3-5-8-16/h3-5,7-8,11-12,15,17H,6,9-10,13H2,1-2H3/t15-,17+/m0/s1
InChIKeyMAJDFVQLQAOAFA-DOTOQJQBSA-N
XLogP3.47
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1S)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (CID 95609505) is 2-[(1S)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1S)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1S)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is Cc1cnn(C[C@H]2CCCN2[C@@H](C)c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 2-[(1S)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is MAJDFVQLQAOAFA-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-11-20-23(12-14)13-17-9-6-10-24(17)15(2)18-21-22-19(25-18)16-7-4-3-5-8-16/h3-5,7-8,11-12,15,17H,6,9-10,13H2,1-2H3/t15-,17+/m0/s1.
What are the key properties of 2-[(1S)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
2-[(1S)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 337.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 95609505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).