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

C15H18N4O — CID 51137353

IUPAC2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc([C@H]3CCN(CC4CC4)C3)o2)c1
InChIInChI=1S/C15H18N4O/c1-2-12(8-16-6-1)14-17-18-15(20-14)13-5-7-19(10-13)9-11-3-4-11/h1-2,6,8,11,13H,3-5,7,9-10H2/t13-/m0/s1
InChIKeyYTJGGQYSNXJCEL-ZDUSSCGKSA-N
MW270.34 g/mol
LogP2.33
Rot. Bonds4

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

2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 51137353) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID51137353
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc([C@H]3CCN(CC4CC4)C3)o2)c1
InChIInChI=1S/C15H18N4O/c1-2-12(8-16-6-1)14-17-18-15(20-14)13-5-7-19(10-13)9-11-3-4-11/h1-2,6,8,11,13H,3-5,7,9-10H2/t13-/m0/s1
InChIKeyYTJGGQYSNXJCEL-ZDUSSCGKSA-N
XLogP2.33
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 51137353) is 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is c1cncc(-c2nnc([C@H]3CCN(CC4CC4)C3)o2)c1.
What is the InChIKey of 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is YTJGGQYSNXJCEL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-12(8-16-6-1)14-17-18-15(20-14)13-5-7-19(10-13)9-11-3-4-11/h1-2,6,8,11,13H,3-5,7,9-10H2/t13-/m0/s1.
What are the key properties of 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 270.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 51137353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).