[6-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone

C19H22N4O4 — CID 127995920

IUPAC[6-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2noc(C3CC=CCC3C(=O)N3CCOCC3)n2)cn1
InChIInChI=1S/C19H22N4O4/c1-25-16-7-6-13(12-20-16)17-21-18(27-22-17)14-4-2-3-5-15(14)19(24)23-8-10-26-11-9-23/h2-3,6-7,12,14-15H,4-5,8-11H2,1H3
InChIKeyULIWYVFEQQEARC-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.05
Rot. Bonds4

About [6-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone

[6-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone (PubChem CID 127995920) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is [6-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone
PubChem CID127995920
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name[6-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2noc(C3CC=CCC3C(=O)N3CCOCC3)n2)cn1
InChIInChI=1S/C19H22N4O4/c1-25-16-7-6-13(12-20-16)17-21-18(27-22-17)14-4-2-3-5-15(14)19(24)23-8-10-26-11-9-23/h2-3,6-7,12,14-15H,4-5,8-11H2,1H3
InChIKeyULIWYVFEQQEARC-UHFFFAOYSA-N
XLogP2.05
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [6-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

morpholin-4-yl-[6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-en-1-yl]methanone
CID 91650738
3-(6-methoxy-3-pyridinyl)-5-[(2R,3R)-2-phenyloxan-3-yl]-1,2,4-oxadiazole
CID 129402676
5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 120841006
3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120840977
[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 22519568
3-(6-methoxy-3-pyridinyl)-5-[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1,2,4-oxadiazole
CID 99838236
6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 43150079
5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131386
(6-methoxy-3-pyridinyl)-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91918773
4-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]oxane-4-carbonitrile
CID 99151345
1-[4-[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 75131231
5-[4-(4-bromophenyl)oxan-4-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 86962939

Frequently Asked Questions

What is the IUPAC name of [6-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone (CID 127995920) is [6-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone is COc1ccc(-c2noc(C3CC=CCC3C(=O)N3CCOCC3)n2)cn1.
What is the InChIKey of [6-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone?
The InChIKey is ULIWYVFEQQEARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-25-16-7-6-13(12-20-16)17-21-18(27-22-17)14-4-2-3-5-15(14)19(24)23-8-10-26-11-9-23/h2-3,6-7,12,14-15H,4-5,8-11H2,1H3.
What are the key properties of [6-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone?
[6-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone has a molecular weight of 370.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 127995920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).