(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(2-methyl-6-phenylmorpholin-4-yl)methanone

C18H22N2O3 — CID 47914211

IUPAC(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(2-methyl-6-phenylmorpholin-4-yl)methanone
SMILESCCc1noc(C)c1C(=O)N1CC(C)OC(c2ccccc2)C1
InChIInChI=1S/C18H22N2O3/c1-4-15-17(13(3)23-19-15)18(21)20-10-12(2)22-16(11-20)14-8-6-5-7-9-14/h5-9,12,16H,4,10-11H2,1-3H3
InChIKeyZLKMQSNZEDQVRS-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.15
Rot. Bonds3

About (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(2-methyl-6-phenylmorpholin-4-yl)methanone

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(2-methyl-6-phenylmorpholin-4-yl)methanone (PubChem CID 47914211) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(2-methyl-6-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(2-methyl-6-phenylmorpholin-4-yl)methanone
PubChem CID47914211
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(2-methyl-6-phenylmorpholin-4-yl)methanone
SMILESCCc1noc(C)c1C(=O)N1CC(C)OC(c2ccccc2)C1
InChIInChI=1S/C18H22N2O3/c1-4-15-17(13(3)23-19-15)18(21)20-10-12(2)22-16(11-20)14-8-6-5-7-9-14/h5-9,12,16H,4,10-11H2,1-3H3
InChIKeyZLKMQSNZEDQVRS-UHFFFAOYSA-N
XLogP3.15
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(2-methyl-6-phenylmorpholin-4-yl)methanone?
The IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(2-methyl-6-phenylmorpholin-4-yl)methanone (CID 47914211) is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(2-methyl-6-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(2-methyl-6-phenylmorpholin-4-yl)methanone?
The canonical SMILES for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(2-methyl-6-phenylmorpholin-4-yl)methanone is CCc1noc(C)c1C(=O)N1CC(C)OC(c2ccccc2)C1.
What is the InChIKey of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(2-methyl-6-phenylmorpholin-4-yl)methanone?
The InChIKey is ZLKMQSNZEDQVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-15-17(13(3)23-19-15)18(21)20-10-12(2)22-16(11-20)14-8-6-5-7-9-14/h5-9,12,16H,4,10-11H2,1-3H3.
What are the key properties of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(2-methyl-6-phenylmorpholin-4-yl)methanone?
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(2-methyl-6-phenylmorpholin-4-yl)methanone has a molecular weight of 314.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(2-methyl-6-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 47914211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).