5-[(3S)-oxolan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazole

C14H14N4O2 — CID 154779107

IUPAC5-[(3S)-oxolan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1cnc2[nH]cc(Cc3noc([C@H]4CCOC4)n3)c2c1
InChIInChI=1S/C14H14N4O2/c1-2-11-10(7-16-13(11)15-4-1)6-12-17-14(20-18-12)9-3-5-19-8-9/h1-2,4,7,9H,3,5-6,8H2,(H,15,16)/t9-/m0/s1
InChIKeyJODQLMNUCQOFPF-VIFPVBQESA-N
MW270.29 g/mol
LogP2.04
Rot. Bonds3

About 5-[(3S)-oxolan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazole

5-[(3S)-oxolan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 154779107) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-[(3S)-oxolan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3S)-oxolan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID154779107
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-[(3S)-oxolan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1cnc2[nH]cc(Cc3noc([C@H]4CCOC4)n3)c2c1
InChIInChI=1S/C14H14N4O2/c1-2-11-10(7-16-13(11)15-4-1)6-12-17-14(20-18-12)9-3-5-19-8-9/h1-2,4,7,9H,3,5-6,8H2,(H,15,16)/t9-/m0/s1
InChIKeyJODQLMNUCQOFPF-VIFPVBQESA-N
XLogP2.04
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(3S)-oxolan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
1-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile
CID 132984357
[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324587
5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholin-3-one
CID 66932669
5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 138999515
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58172476
N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887311
5-(1-cyclopropylpiperidin-4-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole
CID 119050129
2-(1,2,4-oxadiazol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 114183344
3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 91928260
3-(3,4-dihydropyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 71096537
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one
CID 66415273

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-oxolan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3S)-oxolan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazole (CID 154779107) is 5-[(3S)-oxolan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3S)-oxolan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3S)-oxolan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazole is c1cnc2[nH]cc(Cc3noc([C@H]4CCOC4)n3)c2c1.
What is the InChIKey of 5-[(3S)-oxolan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is JODQLMNUCQOFPF-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-11-10(7-16-13(11)15-4-1)6-12-17-14(20-18-12)9-3-5-19-8-9/h1-2,4,7,9H,3,5-6,8H2,(H,15,16)/t9-/m0/s1.
What are the key properties of 5-[(3S)-oxolan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazole?
5-[(3S)-oxolan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 270.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-oxolan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 154779107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).