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

C13H19N5O2 — CID 91650718

IUPAC4-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCCn1nccc1CN1CCOCC1c1nc(C)no1
InChIInChI=1S/C13H19N5O2/c1-3-18-11(4-5-14-18)8-17-6-7-19-9-12(17)13-15-10(2)16-20-13/h4-5,12H,3,6-9H2,1-2H3
InChIKeyKOUJYKVNVXXUBD-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.17
Rot. Bonds4

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

4-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 91650718) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name4-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID91650718
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name4-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCCn1nccc1CN1CCOCC1c1nc(C)no1
InChIInChI=1S/C13H19N5O2/c1-3-18-11(4-5-14-18)8-17-6-7-19-9-12(17)13-15-10(2)16-20-13/h4-5,12H,3,6-9H2,1-2H3
InChIKeyKOUJYKVNVXXUBD-UHFFFAOYSA-N
XLogP1.17
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine
CID 99825829
3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol
CID 99825863
(3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 99777440
5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129484536
4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 126794730
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine
CID 99825862
5-[1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 128999920
5-[(2R)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129336714
N-(3,5-dimethylphenyl)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]acetamide
CID 99777442
(3R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 124622170
(2R)-1-(2,5-dimethylphenoxy)-3-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol
CID 99714734
1-(2,5-dimethylphenoxy)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol
CID 102554061

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of 4-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine (CID 91650718) is 4-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for 4-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for 4-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine is CCn1nccc1CN1CCOCC1c1nc(C)no1.
What is the InChIKey of 4-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
The InChIKey is KOUJYKVNVXXUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-3-18-11(4-5-14-18)8-17-6-7-19-9-12(17)13-15-10(2)16-20-13/h4-5,12H,3,6-9H2,1-2H3.
What are the key properties of 4-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
4-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine has a molecular weight of 277.33 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine is sourced from PubChem (CID 91650718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).