(2,6-dimethylmorpholin-4-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

C17H20N2O3 — CID 2867735

IUPAC(2,6-dimethylmorpholin-4-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C17H20N2O3/c1-11-9-19(10-12(2)21-11)17(20)15-13(3)22-18-16(15)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3
InChIKeyFVIXYPNVMLVPNF-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.90
Rot. Bonds2

About (2,6-dimethylmorpholin-4-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

(2,6-dimethylmorpholin-4-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 2867735) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID2867735
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C17H20N2O3/c1-11-9-19(10-12(2)21-11)17(20)15-13(3)22-18-16(15)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3
InChIKeyFVIXYPNVMLVPNF-UHFFFAOYSA-N
XLogP2.90
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-methylpiperazinyl ketone
CID 798832
[3-(2-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 700029
[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 743794
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
CID 822394
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 4250909
Mls003170801
CID 332790
Azepan-1-yl-[3-(2-chloro-phenyl)-5-methyl-isoxazol-4-yl]-methanone
CID 717954
Cambridge id 5777587
CID 869900
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2481042
4-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde
CID 3555310
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4783580

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 2867735) is (2,6-dimethylmorpholin-4-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is Cc1onc(-c2ccccc2)c1C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is FVIXYPNVMLVPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-9-19(10-12(2)21-11)17(20)15-13(3)22-18-16(15)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
(2,6-dimethylmorpholin-4-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 2867735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).