(3-ethyl-1,2-oxazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone

C13H16N4O3 — CID 110114705

IUPAC(3-ethyl-1,2-oxazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
SMILESCCc1cc(C(=O)N2CCOCC2c2ccn[nH]2)on1
InChIInChI=1S/C13H16N4O3/c1-2-9-7-12(20-16-9)13(18)17-5-6-19-8-11(17)10-3-4-14-15-10/h3-4,7,11H,2,5-6,8H2,1H3,(H,14,15)
InChIKeyIKHLPGGTFVGSCJ-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.17
Rot. Bonds3

About (3-ethyl-1,2-oxazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone

(3-ethyl-1,2-oxazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone (PubChem CID 110114705) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is (3-ethyl-1,2-oxazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-1,2-oxazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
PubChem CID110114705
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name(3-ethyl-1,2-oxazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
SMILESCCc1cc(C(=O)N2CCOCC2c2ccn[nH]2)on1
InChIInChI=1S/C13H16N4O3/c1-2-9-7-12(20-16-9)13(18)17-5-6-19-8-11(17)10-3-4-14-15-10/h3-4,7,11H,2,5-6,8H2,1H3,(H,14,15)
InChIKeyIKHLPGGTFVGSCJ-UHFFFAOYSA-N
XLogP1.17
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124966215
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124989177
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124972211
(5-methyl-1,2-oxazol-3-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114599
(4-ethylthiadiazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124943736
(1-methylpyrrol-2-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125019638
[4-[(dimethylamino)methyl]phenyl]-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125002959
(1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124962888
(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124981377
[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124982330
4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid
CID 125026828
3-(2-ethylimidazol-1-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 125006152

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2-oxazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of (3-ethyl-1,2-oxazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone (CID 110114705) is (3-ethyl-1,2-oxazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-ethyl-1,2-oxazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for (3-ethyl-1,2-oxazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone is CCc1cc(C(=O)N2CCOCC2c2ccn[nH]2)on1.
What is the InChIKey of (3-ethyl-1,2-oxazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is IKHLPGGTFVGSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-2-9-7-12(20-16-9)13(18)17-5-6-19-8-11(17)10-3-4-14-15-10/h3-4,7,11H,2,5-6,8H2,1H3,(H,14,15).
What are the key properties of (3-ethyl-1,2-oxazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone?
(3-ethyl-1,2-oxazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 276.30 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,2-oxazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 110114705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).