4-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]morpholine

C14H18N2O2 — CID 57164746

IUPAC4-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]morpholine
SMILESC1=C(c2ccccc2)NOC1CN1CCOCC1
InChIInChI=1S/C14H18N2O2/c1-2-4-12(5-3-1)14-10-13(18-15-14)11-16-6-8-17-9-7-16/h1-5,10,13,15H,6-9,11H2
InChIKeyFMYXLWPJAVQWBX-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.26
Rot. Bonds3

About 4-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]morpholine

4-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]morpholine (PubChem CID 57164746) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]morpholine
PubChem CID57164746
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]morpholine
SMILESC1=C(c2ccccc2)NOC1CN1CCOCC1
InChIInChI=1S/C14H18N2O2/c1-2-4-12(5-3-1)14-10-13(18-15-14)11-16-6-8-17-9-7-16/h1-5,10,13,15H,6-9,11H2
InChIKeyFMYXLWPJAVQWBX-UHFFFAOYSA-N
XLogP1.26
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Benzylmorpholin-2-yl)methanamine
CID 2776360
4-(1-Phenylvinyl)morpholine
CID 11074188
4-[(1E)-1-phenylprop-1-en-1-yl]morpholine
CID 6370493
2-(4-Benzylmorpholin-2-yl)ethanamine
CID 10082206
4-[(Z)-1-phenylprop-1-enyl]morpholine
CID 5384000
N-benzylmorpholine-N-oxide
CID 11159851
4-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)morpholine
CID 15557565
4-[(E)-1-phenylpent-1-enyl]morpholine
CID 67716423
n-(4-Fluorobenzyl)-o-(3-morpholin-4-yl-propyl)-hydroxylamine
CID 21947550
4-[[3-[4-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
CID 56999532
2-[(5S)-3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone
CID 123396334
4-[[3-(3,4-Difluorophenyl)-2,3-dihydro-1,2-oxazol-5-yl]methyl]-2,6-dimethylmorpholine
CID 172326312

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]morpholine?
The IUPAC name of 4-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]morpholine (CID 57164746) is 4-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]morpholine.
What is the SMILES notation for 4-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]morpholine?
The canonical SMILES for 4-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]morpholine is C1=C(c2ccccc2)NOC1CN1CCOCC1.
What is the InChIKey of 4-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]morpholine?
The InChIKey is FMYXLWPJAVQWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-4-12(5-3-1)14-10-13(18-15-14)11-16-6-8-17-9-7-16/h1-5,10,13,15H,6-9,11H2.
What are the key properties of 4-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]morpholine?
4-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]morpholine has a molecular weight of 246.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]morpholine is sourced from PubChem (CID 57164746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).