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

C11H17N3O — CID 51137185

IUPAC2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc([C@H]2CCN(CC3CC3)C2)o1
InChIInChI=1S/C11H17N3O/c1-8-12-13-11(15-8)10-4-5-14(7-10)6-9-2-3-9/h9-10H,2-7H2,1H3/t10-/m0/s1
InChIKeyJRZAXMCWNCKBQJ-JTQLQIEISA-N
MW207.28 g/mol
LogP1.58
Rot. Bonds3

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

2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 51137185) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID51137185
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc([C@H]2CCN(CC3CC3)C2)o1
InChIInChI=1S/C11H17N3O/c1-8-12-13-11(15-8)10-4-5-14(7-10)6-9-2-3-9/h9-10H,2-7H2,1H3/t10-/m0/s1
InChIKeyJRZAXMCWNCKBQJ-JTQLQIEISA-N
XLogP1.58
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole (CID 51137185) is 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole is Cc1nnc([C@H]2CCN(CC3CC3)C2)o1.
What is the InChIKey of 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is JRZAXMCWNCKBQJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-12-13-11(15-8)10-4-5-14(7-10)6-9-2-3-9/h9-10H,2-7H2,1H3/t10-/m0/s1.
What are the key properties of 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole?
2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 207.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 51137185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).