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

C17H20N2O4 — CID 90574055

IUPAC(2,6-dimethylmorpholin-4-yl)-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
SMILESCC1CN(C(=O)c2cc(OCc3ccccc3)no2)CC(C)O1
InChIInChI=1S/C17H20N2O4/c1-12-9-19(10-13(2)22-12)17(20)15-8-16(18-23-15)21-11-14-6-4-3-5-7-14/h3-8,12-13H,9-11H2,1-2H3
InChIKeyXNTVMVMGUQCZHP-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.50
Rot. Bonds4

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

(2,6-dimethylmorpholin-4-yl)-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone (PubChem CID 90574055) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
PubChem CID90574055
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
SMILESCC1CN(C(=O)c2cc(OCc3ccccc3)no2)CC(C)O1
InChIInChI=1S/C17H20N2O4/c1-12-9-19(10-13(2)22-12)17(20)15-8-16(18-23-15)21-11-14-6-4-3-5-7-14/h3-8,12-13H,9-11H2,1-2H3
InChIKeyXNTVMVMGUQCZHP-UHFFFAOYSA-N
XLogP2.50
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone
CID 95277197
(6R)-6-methyl-4-(2-phenylmethoxypyridine-4-carbonyl)morpholine-2-carboxylic acid
CID 120536224
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 41292535
(5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 8800152
(5-chloro-2-phenylmethoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 8800157
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]methanone
CID 26400959
(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 40925650
[2-(2-hydroxyethyl)piperidin-1-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
CID 90574051
2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
CID 66936639
N-(2-phenylethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574114
(4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573738
(3S,4S)-4-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952058

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone (CID 90574055) is (2,6-dimethylmorpholin-4-yl)-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone is CC1CN(C(=O)c2cc(OCc3ccccc3)no2)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone?
The InChIKey is XNTVMVMGUQCZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12-9-19(10-13(2)22-12)17(20)15-8-16(18-23-15)21-11-14-6-4-3-5-7-14/h3-8,12-13H,9-11H2,1-2H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone?
(2,6-dimethylmorpholin-4-yl)-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone has a molecular weight of 316.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 90574055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).