2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine

C16H19N5O3 — CID 126804830

IUPAC2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESCCn1cc(C2CN(Cc3nc(-c4ccco4)no3)CCO2)cn1
InChIInChI=1S/C16H19N5O3/c1-2-21-9-12(8-17-21)14-10-20(5-7-23-14)11-15-18-16(19-24-15)13-4-3-6-22-13/h3-4,6,8-9,14H,2,5,7,10-11H2,1H3
InChIKeyHBSQMQNCYBNOSP-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.12
Rot. Bonds5

About 2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine

2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 126804830) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID126804830
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESCCn1cc(C2CN(Cc3nc(-c4ccco4)no3)CCO2)cn1
InChIInChI=1S/C16H19N5O3/c1-2-21-9-12(8-17-21)14-10-20(5-7-23-14)11-15-18-16(19-24-15)13-4-3-6-22-13/h3-4,6,8-9,14H,2,5,7,10-11H2,1H3
InChIKeyHBSQMQNCYBNOSP-UHFFFAOYSA-N
XLogP2.12
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine with MolForge

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Related Compounds

(2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
CID 124622469
(2R)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95138390
methyl 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-2-carboxylate
CID 78925869
3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
CID 75438520
3-(furan-2-yl)-5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 134019527
2-[[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]methyl]-5-fluoro-1,3-benzoxazole
CID 126810576
(2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine
CID 95323433
3-(furan-2-yl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
CID 51076543
1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 55103645
N-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline
CID 124622494
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 43052577

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 126804830) is 2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is CCn1cc(C2CN(Cc3nc(-c4ccco4)no3)CCO2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is HBSQMQNCYBNOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-2-21-9-12(8-17-21)14-10-20(5-7-23-14)11-15-18-16(19-24-15)13-4-3-6-22-13/h3-4,6,8-9,14H,2,5,7,10-11H2,1H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 329.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 126804830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).