(4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane

C17H22ClNO5 — CID 174419120

IUPAC(4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.O=C(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C11H12ClNO2.C6H10O3/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13;1(5-3-8-5)7-2-6-4-9-6/h1-4H,5-8H2;5-6H,1-4H2
InChIKeyVEDSLOKVRHAOLM-UHFFFAOYSA-N
MW355.82 g/mol
LogP1.61
Rot. Bonds5

About (4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane

(4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 174419120) has the molecular formula C17H22ClNO5 and a molecular weight of 355.82 g/mol. Its IUPAC name is (4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name(4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID174419120
Molecular FormulaC17H22ClNO5
Molecular Weight355.82 g/mol
Exact Mass355.12
IUPAC Name(4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.O=C(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C11H12ClNO2.C6H10O3/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13;1(5-3-8-5)7-2-6-4-9-6/h1-4H,5-8H2;5-6H,1-4H2
InChIKeyVEDSLOKVRHAOLM-UHFFFAOYSA-N
XLogP1.61
TPSA63.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073693
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone
CID 81211077
[4-(oxiran-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone
CID 146098594
(4-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 133134656
(4-chlorophenyl)-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone
CID 91916187
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
CID 7183143
N-(2,5-dichlorophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045546
(4-chlorophenyl)-(1,5,2-dioxazepan-2-yl)methanone
CID 141051954
[4-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 42861799
N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42861940

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of (4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 174419120) is (4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for (4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for (4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.O=C(c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of (4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is VEDSLOKVRHAOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2.C6H10O3/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13;1(5-3-8-5)7-2-6-4-9-6/h1-4H,5-8H2;5-6H,1-4H2.
What are the key properties of (4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane?
(4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 355.82 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 174419120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).