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

C21H22N2O3 — CID 47914996

IUPAC(2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
SMILESCC1CN(C(=O)C2=NOC(c3ccccc3)C2)CC(c2ccccc2)O1
InChIInChI=1S/C21H22N2O3/c1-15-13-23(14-20(25-15)17-10-6-3-7-11-17)21(24)18-12-19(26-22-18)16-8-4-2-5-9-16/h2-11,15,19-20H,12-14H2,1H3
InChIKeyURZWHUMHNUXLNZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.49
Rot. Bonds3

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

(2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone (PubChem CID 47914996) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
PubChem CID47914996
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
SMILESCC1CN(C(=O)C2=NOC(c3ccccc3)C2)CC(c2ccccc2)O1
InChIInChI=1S/C21H22N2O3/c1-15-13-23(14-20(25-15)17-10-6-3-7-11-17)21(24)18-12-19(26-22-18)16-8-4-2-5-9-16/h2-11,15,19-20H,12-14H2,1H3
InChIKeyURZWHUMHNUXLNZ-UHFFFAOYSA-N
XLogP3.49
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 95583766
5-(2-methyl-6-phenylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 47914673
(2-methyl-6-phenylmorpholin-4-yl)-pyrazin-2-ylmethanone
CID 47914748
[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 94823256
5-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124694837
2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 52537836
3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one
CID 94823289
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124692496
5-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 122158408
(2-methyl-6-phenylmorpholin-4-yl)-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 56819953
[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 95583774

Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone?
The IUPAC name of (2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone (CID 47914996) is (2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone is CC1CN(C(=O)C2=NOC(c3ccccc3)C2)CC(c2ccccc2)O1.
What is the InChIKey of (2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone?
The InChIKey is URZWHUMHNUXLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15-13-23(14-20(25-15)17-10-6-3-7-11-17)21(24)18-12-19(26-22-18)16-8-4-2-5-9-16/h2-11,15,19-20H,12-14H2,1H3.
What are the key properties of (2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone?
(2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone has a molecular weight of 350.42 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 47914996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).