[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]methanone

C22H21ClN2O3 — CID 6975520

IUPAC[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCO[C@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C22H21ClN2O3/c1-14-21(16-8-4-3-5-9-16)27-13-12-25(14)22(26)19-15(2)28-24-20(19)17-10-6-7-11-18(17)23/h3-11,14,21H,12-13H2,1-2H3/t14-,21+/m1/s1
InChIKeyIHUKAQXRDINMFJ-SZNDQCEHSA-N
MW396.87 g/mol
LogP4.91
Rot. Bonds3

About [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]methanone

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]methanone (PubChem CID 6975520) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]methanone
PubChem CID6975520
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCO[C@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C22H21ClN2O3/c1-14-21(16-8-4-3-5-9-16)27-13-12-25(14)22(26)19-15(2)28-24-20(19)17-10-6-7-11-18(17)23/h3-11,14,21H,12-13H2,1-2H3/t14-,21+/m1/s1
InChIKeyIHUKAQXRDINMFJ-SZNDQCEHSA-N
XLogP4.91
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 743641
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 700024
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 46366284
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1050462
(2S,4R)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(dimethylamino)pyrrolidine-2-carboxylic acid
CID 50978377
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251237
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 50809663
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 4292223
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 121105782
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164854
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone
CID 102554978
1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone
CID 92843868

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]methanone?
The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]methanone (CID 6975520) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]methanone?
The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]methanone is Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCO[C@H](c2ccccc2)[C@H]1C.
What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]methanone?
The InChIKey is IHUKAQXRDINMFJ-SZNDQCEHSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-14-21(16-8-4-3-5-9-16)27-13-12-25(14)22(26)19-15(2)28-24-20(19)17-10-6-7-11-18(17)23/h3-11,14,21H,12-13H2,1-2H3/t14-,21+/m1/s1.
What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]methanone?
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]methanone has a molecular weight of 396.87 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 6975520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).