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

C11H15N5O — CID 51137184

IUPAC2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc([C@H]2CCN(Cc3ncc[nH]3)C2)o1
InChIInChI=1S/C11H15N5O/c1-8-14-15-11(17-8)9-2-5-16(6-9)7-10-12-3-4-13-10/h3-4,9H,2,5-7H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyLKYUJSHYCPUMGI-VIFPVBQESA-N
MW233.27 g/mol
LogP1.09
Rot. Bonds3

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

2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 51137184) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID51137184
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc([C@H]2CCN(Cc3ncc[nH]3)C2)o1
InChIInChI=1S/C11H15N5O/c1-8-14-15-11(17-8)9-2-5-16(6-9)7-10-12-3-4-13-10/h3-4,9H,2,5-7H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyLKYUJSHYCPUMGI-VIFPVBQESA-N
XLogP1.09
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole (CID 51137184) is 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole is Cc1nnc([C@H]2CCN(Cc3ncc[nH]3)C2)o1.
What is the InChIKey of 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is LKYUJSHYCPUMGI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-14-15-11(17-8)9-2-5-16(6-9)7-10-12-3-4-13-10/h3-4,9H,2,5-7H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole?
2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 233.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 51137184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).