(5-methyl-1,2-oxazol-3-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone

C18H22N2O3 — CID 134712918

IUPAC(5-methyl-1,2-oxazol-3-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C(C)C)C2)no1
InChIInChI=1S/C18H22N2O3/c1-12(2)16-10-20(18(21)15-9-13(3)23-19-15)11-17(22-16)14-7-5-4-6-8-14/h4-9,12,16-17H,10-11H2,1-3H3/t16-,17+/m1/s1
InChIKeyOYNMLNXQCLXRMG-SJORKVTESA-N
MW314.39 g/mol
LogP3.22
Rot. Bonds3

About (5-methyl-1,2-oxazol-3-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone

(5-methyl-1,2-oxazol-3-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone (PubChem CID 134712918) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
PubChem CID134712918
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C(C)C)C2)no1
InChIInChI=1S/C18H22N2O3/c1-12(2)16-10-20(18(21)15-9-13(3)23-19-15)11-17(22-16)14-7-5-4-6-8-14/h4-9,12,16-17H,10-11H2,1-3H3/t16-,17+/m1/s1
InChIKeyOYNMLNXQCLXRMG-SJORKVTESA-N
XLogP3.22
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 134700601
[(2S,6R)-2-(1,3-benzodioxol-5-yl)-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 155508809
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134701122
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134704293
4,6-dimethyl-3-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 134706311
[3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134696475
(6-amino-3-pyridinyl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134706582
3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride
CID 154913614
(3-fluoro-4-hydroxyphenyl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone;formic acid
CID 155971983
2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride
CID 154914015
(5-methyl-1,2-oxazol-3-yl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 124761202
N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511383

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone (CID 134712918) is (5-methyl-1,2-oxazol-3-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone is Cc1cc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C(C)C)C2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone?
The InChIKey is OYNMLNXQCLXRMG-SJORKVTESA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12(2)16-10-20(18(21)15-9-13(3)23-19-15)11-17(22-16)14-7-5-4-6-8-14/h4-9,12,16-17H,10-11H2,1-3H3/t16-,17+/m1/s1.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone?
(5-methyl-1,2-oxazol-3-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone is sourced from PubChem (CID 134712918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).