4-[4-[3-(4-chlorophenyl)-1,3-oxazolidin-4-yl]phenyl]morpholin-3-one;formamide

C21H25ClN4O5 — CID 69303811

IUPAC4-[4-[3-(4-chlorophenyl)-1,3-oxazolidin-4-yl]phenyl]morpholin-3-one;formamide
SMILESNC=O.NC=O.O=C1COCCN1c1ccc(C2COCN2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O3.2CH3NO/c20-15-3-7-17(8-4-15)22-13-25-11-18(22)14-1-5-16(6-2-14)21-9-10-24-12-19(21)23;2*2-1-3/h1-8,18H,9-13H2;2*1H,(H2,2,3)
InChIKeyZBKLQZPVNSHNLS-UHFFFAOYSA-N
MW448.91 g/mol
LogP1.44
Rot. Bonds3

About 4-[4-[3-(4-chlorophenyl)-1,3-oxazolidin-4-yl]phenyl]morpholin-3-one;formamide

4-[4-[3-(4-chlorophenyl)-1,3-oxazolidin-4-yl]phenyl]morpholin-3-one;formamide (PubChem CID 69303811) has the molecular formula C21H25ClN4O5 and a molecular weight of 448.91 g/mol. Its IUPAC name is 4-[4-[3-(4-chlorophenyl)-1,3-oxazolidin-4-yl]phenyl]morpholin-3-one;formamide.

Molecular Properties

Compound Name4-[4-[3-(4-chlorophenyl)-1,3-oxazolidin-4-yl]phenyl]morpholin-3-one;formamide
PubChem CID69303811
Molecular FormulaC21H25ClN4O5
Molecular Weight448.91 g/mol
Exact Mass448.15
IUPAC Name4-[4-[3-(4-chlorophenyl)-1,3-oxazolidin-4-yl]phenyl]morpholin-3-one;formamide
SMILESNC=O.NC=O.O=C1COCCN1c1ccc(C2COCN2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O3.2CH3NO/c20-15-3-7-17(8-4-15)22-13-25-11-18(22)14-1-5-16(6-2-14)21-9-10-24-12-19(21)23;2*2-1-3/h1-8,18H,9-13H2;2*1H,(H2,2,3)
InChIKeyZBKLQZPVNSHNLS-UHFFFAOYSA-N
XLogP1.44
TPSA128.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde
CID 91756748
4-(3-amino-4-chlorophenyl)morpholin-3-one
CID 82512872
4-[4-[5-(aminomethyl)-2-hydroxy-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 123323999
2-N-(4-chlorophenyl)-1-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide
CID 11712884
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
4-(4-ethynylphenyl)morpholin-3-one
CID 119094616
(2R,4R)-1-(4-chlorophenyl)-4-hydroxy-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-1,2-dicarboxamide
CID 87632031
methyl-methylidene-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyloxymethyl]phosphanium
CID 123669278
4-[4-(propan-2-ylamino)phenyl]morpholin-3-one
CID 70327069
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110617707
6-N-(4-chlorophenyl)-5-N-[4-(3-oxomorpholin-4-yl)phenyl]-4-oxa-6-azaspiro[2.4]heptane-5,6-dicarboxamide
CID 11547325

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(4-chlorophenyl)-1,3-oxazolidin-4-yl]phenyl]morpholin-3-one;formamide?
The IUPAC name of 4-[4-[3-(4-chlorophenyl)-1,3-oxazolidin-4-yl]phenyl]morpholin-3-one;formamide (CID 69303811) is 4-[4-[3-(4-chlorophenyl)-1,3-oxazolidin-4-yl]phenyl]morpholin-3-one;formamide.
What is the SMILES notation for 4-[4-[3-(4-chlorophenyl)-1,3-oxazolidin-4-yl]phenyl]morpholin-3-one;formamide?
The canonical SMILES for 4-[4-[3-(4-chlorophenyl)-1,3-oxazolidin-4-yl]phenyl]morpholin-3-one;formamide is NC=O.NC=O.O=C1COCCN1c1ccc(C2COCN2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[4-[3-(4-chlorophenyl)-1,3-oxazolidin-4-yl]phenyl]morpholin-3-one;formamide?
The InChIKey is ZBKLQZPVNSHNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3.2CH3NO/c20-15-3-7-17(8-4-15)22-13-25-11-18(22)14-1-5-16(6-2-14)21-9-10-24-12-19(21)23;2*2-1-3/h1-8,18H,9-13H2;2*1H,(H2,2,3).
What are the key properties of 4-[4-[3-(4-chlorophenyl)-1,3-oxazolidin-4-yl]phenyl]morpholin-3-one;formamide?
4-[4-[3-(4-chlorophenyl)-1,3-oxazolidin-4-yl]phenyl]morpholin-3-one;formamide has a molecular weight of 448.91 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(4-chlorophenyl)-1,3-oxazolidin-4-yl]phenyl]morpholin-3-one;formamide is sourced from PubChem (CID 69303811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).