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

C14H18N4O3 — CID 124972211

IUPAC(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
SMILESCCc1cc(C(=O)N2CCOC[C@H]2c2[nH]ncc2C)on1
InChIInChI=1S/C14H18N4O3/c1-3-10-6-12(21-17-10)14(19)18-4-5-20-8-11(18)13-9(2)7-15-16-13/h6-7,11H,3-5,8H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyKBKPFUKPIARNEK-NSHDSACASA-N
MW290.32 g/mol
LogP1.48
Rot. Bonds3

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

(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone (PubChem CID 124972211) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
PubChem CID124972211
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
SMILESCCc1cc(C(=O)N2CCOC[C@H]2c2[nH]ncc2C)on1
InChIInChI=1S/C14H18N4O3/c1-3-10-6-12(21-17-10)14(19)18-4-5-20-8-11(18)13-9(2)7-15-16-13/h6-7,11H,3-5,8H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyKBKPFUKPIARNEK-NSHDSACASA-N
XLogP1.48
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of (3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone (CID 124972211) is (3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for (3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone is CCc1cc(C(=O)N2CCOC[C@H]2c2[nH]ncc2C)on1.
What is the InChIKey of (3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is KBKPFUKPIARNEK-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O3/c1-3-10-6-12(21-17-10)14(19)18-4-5-20-8-11(18)13-9(2)7-15-16-13/h6-7,11H,3-5,8H2,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone?
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 290.32 g/mol, XLogP of 1.48, 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)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 124972211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).