[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone

C16H17FN2O3 — CID 51494370

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ncoc2-c2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C16H17FN2O3/c1-10-7-19(8-11(2)22-10)16(20)14-15(21-9-18-14)12-3-5-13(17)6-4-12/h3-6,9-11H,7-8H2,1-2H3/t10-,11+
InChIKeyPWZCPOHJXVLTNJ-PHIMTYICSA-N
MW304.32 g/mol
LogP2.73
Rot. Bonds2

About [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone (PubChem CID 51494370) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone
PubChem CID51494370
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ncoc2-c2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C16H17FN2O3/c1-10-7-19(8-11(2)22-10)16(20)14-15(21-9-18-14)12-3-5-13(17)6-4-12/h3-6,9-11H,7-8H2,1-2H3/t10-,11+
InChIKeyPWZCPOHJXVLTNJ-PHIMTYICSA-N
XLogP2.73
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone with MolForge

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Related Compounds

[5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 110244642
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone
CID 51494377
(2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 42758584
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]methanone
CID 124938424
N-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 73440583
(1R,9R)-11-[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 98136353
1-(2,6-dimethylmorpholin-4-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propan-1-one
CID 22221218
1,4-diazepan-1-yl-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone
CID 119416396
1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355297
(3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride
CID 119482806
1,4-diazepan-1-yl-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride
CID 119416395
(3R)-1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124696527

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone (CID 51494370) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone is C[C@@H]1CN(C(=O)c2ncoc2-c2ccc(F)cc2)C[C@H](C)O1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone?
The InChIKey is PWZCPOHJXVLTNJ-PHIMTYICSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-10-7-19(8-11(2)22-10)16(20)14-15(21-9-18-14)12-3-5-13(17)6-4-12/h3-6,9-11H,7-8H2,1-2H3/t10-,11+.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone has a molecular weight of 304.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 51494370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).