(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

C18H19N5O3 — CID 97331532

IUPAC(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOC[C@H]2c2ncon2)c(C)n1-c1ccccn1
InChIInChI=1S/C18H19N5O3/c1-12-9-14(13(2)23(12)16-5-3-4-6-19-16)18(24)22-7-8-25-10-15(22)17-20-11-26-21-17/h3-6,9,11,15H,7-8,10H2,1-2H3/t15-/m0/s1
InChIKeyKJWSNOLHVUGVKV-HNNXBMFYSA-N
MW353.38 g/mol
LogP2.09
Rot. Bonds3

About (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (PubChem CID 97331532) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
PubChem CID97331532
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOC[C@H]2c2ncon2)c(C)n1-c1ccccn1
InChIInChI=1S/C18H19N5O3/c1-12-9-14(13(2)23(12)16-5-3-4-6-19-16)18(24)22-7-8-25-10-15(22)17-20-11-26-21-17/h3-6,9,11,15H,7-8,10H2,1-2H3/t15-/m0/s1
InChIKeyKJWSNOLHVUGVKV-HNNXBMFYSA-N
XLogP2.09
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (CID 97331532) is (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is Cc1cc(C(=O)N2CCOC[C@H]2c2ncon2)c(C)n1-c1ccccn1.
What is the InChIKey of (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is KJWSNOLHVUGVKV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12-9-14(13(2)23(12)16-5-3-4-6-19-16)18(24)22-7-8-25-10-15(22)17-20-11-26-21-17/h3-6,9,11,15H,7-8,10H2,1-2H3/t15-/m0/s1.
What are the key properties of (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 353.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 97331532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).