[2-(2-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone

C21H19ClN2O4 — CID 110356617

IUPAC[2-(2-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCOC(c4ccccc4Cl)C3)no2)c1
InChIInChI=1S/C21H19ClN2O4/c1-26-15-6-4-5-14(11-15)19-12-18(23-28-19)21(25)24-9-10-27-20(13-24)16-7-2-3-8-17(16)22/h2-8,11-12,20H,9-10,13H2,1H3
InChIKeyIPLRELTYQNQZEM-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.22
Rot. Bonds4

About [2-(2-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone

[2-(2-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 110356617) has the molecular formula C21H19ClN2O4 and a molecular weight of 398.85 g/mol. Its IUPAC name is [2-(2-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
PubChem CID110356617
Molecular FormulaC21H19ClN2O4
Molecular Weight398.85 g/mol
Exact Mass398.10
IUPAC Name[2-(2-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCOC(c4ccccc4Cl)C3)no2)c1
InChIInChI=1S/C21H19ClN2O4/c1-26-15-6-4-5-14(11-15)19-12-18(23-28-19)21(25)24-9-10-27-20(13-24)16-7-2-3-8-17(16)22/h2-8,11-12,20H,9-10,13H2,1H3
InChIKeyIPLRELTYQNQZEM-UHFFFAOYSA-N
XLogP4.22
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(2-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone with MolForge

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Related Compounds

[2-(4-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 110356670
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421
[2-(3-chlorophenyl)morpholin-4-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110356637
[(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone
CID 95296582
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110313915
tert-butyl 4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate
CID 110312683
[2-(4-fluorophenyl)morpholin-4-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 70743890
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 121134461
4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
CID 119239890
(2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
CID 129466190
[2-(2-chlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 155946085

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [2-(2-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone (CID 110356617) is [2-(2-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [2-(2-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [2-(2-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone is COc1cccc(-c2cc(C(=O)N3CCOC(c4ccccc4Cl)C3)no2)c1.
What is the InChIKey of [2-(2-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is IPLRELTYQNQZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4/c1-26-15-6-4-5-14(11-15)19-12-18(23-28-19)21(25)24-9-10-27-20(13-24)16-7-2-3-8-17(16)22/h2-8,11-12,20H,9-10,13H2,1H3.
What are the key properties of [2-(2-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
[2-(2-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 398.85 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 110356617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).