morpholin-4-yl-[6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-en-1-yl]methanone

C18H20N4O3 — CID 91650738

IUPACmorpholin-4-yl-[6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-en-1-yl]methanone
SMILESO=C(C1CC=CCC1c1nc(-c2ccncc2)no1)N1CCOCC1
InChIInChI=1S/C18H20N4O3/c23-18(22-9-11-24-12-10-22)15-4-2-1-3-14(15)17-20-16(21-25-17)13-5-7-19-8-6-13/h1-2,5-8,14-15H,3-4,9-12H2
InChIKeyXVCFCDMJZSAMMX-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.04
Rot. Bonds3

About morpholin-4-yl-[6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-en-1-yl]methanone

morpholin-4-yl-[6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-en-1-yl]methanone (PubChem CID 91650738) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is morpholin-4-yl-[6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-en-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-en-1-yl]methanone
PubChem CID91650738
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Namemorpholin-4-yl-[6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-en-1-yl]methanone
SMILESO=C(C1CC=CCC1c1nc(-c2ccncc2)no1)N1CCOCC1
InChIInChI=1S/C18H20N4O3/c23-18(22-9-11-24-12-10-22)15-4-2-1-3-14(15)17-20-16(21-25-17)13-5-7-19-8-6-13/h1-2,5-8,14-15H,3-4,9-12H2
InChIKeyXVCFCDMJZSAMMX-UHFFFAOYSA-N
XLogP2.04
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 43150079
[6-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone
CID 127995920
(1S,6R)-6-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-ene-1-carboxylic acid
CID 104982366
(1S,6R)-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 104963091
N-[(1S,2R,4R)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyrazine-2-carboxamide
CID 146065980
[(1R,2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 100659445
1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 156601559
5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 99611541
4-ethyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 114512896
pyrazin-2-yl-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 53192003
6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 43150077
5-[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-3-pyridin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 154888490

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-en-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-en-1-yl]methanone (CID 91650738) is morpholin-4-yl-[6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-en-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-en-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-en-1-yl]methanone is O=C(C1CC=CCC1c1nc(-c2ccncc2)no1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-en-1-yl]methanone?
The InChIKey is XVCFCDMJZSAMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-18(22-9-11-24-12-10-22)15-4-2-1-3-14(15)17-20-16(21-25-17)13-5-7-19-8-6-13/h1-2,5-8,14-15H,3-4,9-12H2.
What are the key properties of morpholin-4-yl-[6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-en-1-yl]methanone?
morpholin-4-yl-[6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-en-1-yl]methanone has a molecular weight of 340.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-en-1-yl]methanone is sourced from PubChem (CID 91650738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).