3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one

C17H19ClN2O3 — CID 95141971

IUPAC3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one
SMILESCc1noc(Cl)c1CCC(=O)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H19ClN2O3/c1-12-14(17(18)23-19-12)7-8-16(21)20-9-10-22-15(11-20)13-5-3-2-4-6-13/h2-6,15H,7-11H2,1H3/t15-/m1/s1
InChIKeyHOSDXMURGPNZOR-OAHLLOKOSA-N
MW334.80 g/mol
LogP3.17
Rot. Bonds4

About 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one (PubChem CID 95141971) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one
PubChem CID95141971
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one
SMILESCc1noc(Cl)c1CCC(=O)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H19ClN2O3/c1-12-14(17(18)23-19-12)7-8-16(21)20-9-10-22-15(11-20)13-5-3-2-4-6-13/h2-6,15H,7-11H2,1H3/t15-/m1/s1
InChIKeyHOSDXMURGPNZOR-OAHLLOKOSA-N
XLogP3.17
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71707666
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-1-one
CID 95590971
1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 134040069
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71700852
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 95281367
2,4-dimethyl-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]-1H-pyrimidin-6-one
CID 136882935
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride
CID 120744149
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
2-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenylmorpholin-4-yl)ethanone
CID 110629831
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 110112458
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one
CID 119409653
3-(1,3-benzothiazol-2-yl)-1-[(2R)-2-phenylmorpholin-4-yl]propan-1-one
CID 35258822

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one?
The IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one (CID 95141971) is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one is Cc1noc(Cl)c1CCC(=O)N1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one?
The InChIKey is HOSDXMURGPNZOR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-12-14(17(18)23-19-12)7-8-16(21)20-9-10-22-15(11-20)13-5-3-2-4-6-13/h2-6,15H,7-11H2,1H3/t15-/m1/s1.
What are the key properties of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one?
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one has a molecular weight of 334.80 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 95141971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).