2-(4-morpholin-4-ylphenyl)-1,3-oxazolidine-2-carbaldehyde

C14H18N2O3 — CID 174432065

IUPAC2-(4-morpholin-4-ylphenyl)-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1(c2ccc(N3CCOCC3)cc2)NCCO1
InChIInChI=1S/C14H18N2O3/c17-11-14(15-5-8-19-14)12-1-3-13(4-2-12)16-6-9-18-10-7-16/h1-4,11,15H,5-10H2
InChIKeyJLLBZSRUJKCYJH-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.49
Rot. Bonds3

About 2-(4-morpholin-4-ylphenyl)-1,3-oxazolidine-2-carbaldehyde

2-(4-morpholin-4-ylphenyl)-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174432065) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylphenyl)-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name2-(4-morpholin-4-ylphenyl)-1,3-oxazolidine-2-carbaldehyde
PubChem CID174432065
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(4-morpholin-4-ylphenyl)-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1(c2ccc(N3CCOCC3)cc2)NCCO1
InChIInChI=1S/C14H18N2O3/c17-11-14(15-5-8-19-14)12-1-3-13(4-2-12)16-6-9-18-10-7-16/h1-4,11,15H,5-10H2
InChIKeyJLLBZSRUJKCYJH-UHFFFAOYSA-N
XLogP0.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4-morpholin-4-ylphenyl)cyclopentane-1-carbaldehyde
CID 117047492
4-(4-morpholin-4-ylphenyl)piperazine-2,6-dione
CID 63787858
(4-morpholin-4-ylphenyl)-[4-(4-morpholin-4-ylphenyl)phenyl]diazene
CID 118528758
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
3-[4-(4-fluorophenyl)piperazin-1-yl]-4-morpholin-4-ylcyclobut-3-ene-1,2-dione
CID 53368386
4-[4-(4,4-dimethylimidazolidin-1-yl)phenyl]morpholine
CID 90705662
(4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
CID 88874788
3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90901453

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylphenyl)-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of 2-(4-morpholin-4-ylphenyl)-1,3-oxazolidine-2-carbaldehyde (CID 174432065) is 2-(4-morpholin-4-ylphenyl)-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for 2-(4-morpholin-4-ylphenyl)-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for 2-(4-morpholin-4-ylphenyl)-1,3-oxazolidine-2-carbaldehyde is O=CC1(c2ccc(N3CCOCC3)cc2)NCCO1.
What is the InChIKey of 2-(4-morpholin-4-ylphenyl)-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is JLLBZSRUJKCYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-11-14(15-5-8-19-14)12-1-3-13(4-2-12)16-6-9-18-10-7-16/h1-4,11,15H,5-10H2.
What are the key properties of 2-(4-morpholin-4-ylphenyl)-1,3-oxazolidine-2-carbaldehyde?
2-(4-morpholin-4-ylphenyl)-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 262.31 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylphenyl)-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174432065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).