(2,2-dimethylmorpholin-4-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone

C20H20N2O3 — CID 51114484

IUPAC(2,2-dimethylmorpholin-4-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)CCO1
InChIInChI=1S/C20H20N2O3/c1-20(2)13-22(10-11-24-20)19(23)15-8-9-17-16(12-15)18(25-21-17)14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3
InChIKeySJMCLJYGUUPQOH-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.75
Rot. Bonds2

About (2,2-dimethylmorpholin-4-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone

(2,2-dimethylmorpholin-4-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone (PubChem CID 51114484) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone
PubChem CID51114484
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(2,2-dimethylmorpholin-4-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)CCO1
InChIInChI=1S/C20H20N2O3/c1-20(2)13-22(10-11-24-20)19(23)15-8-9-17-16(12-15)18(25-21-17)14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3
InChIKeySJMCLJYGUUPQOH-UHFFFAOYSA-N
XLogP3.75
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone (CID 51114484) is (2,2-dimethylmorpholin-4-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone is CC1(C)CN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)CCO1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
The InChIKey is SJMCLJYGUUPQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-20(2)13-22(10-11-24-20)19(23)15-8-9-17-16(12-15)18(25-21-17)14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
(2,2-dimethylmorpholin-4-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone has a molecular weight of 336.39 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone is sourced from PubChem (CID 51114484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).