5-[(dibenzylamino)methyl]-3-(3-fluoro-2-morpholin-4-ylphenyl)-1,3-oxazol-2-one

C28H28FN3O3 — CID 66998188

IUPAC5-[(dibenzylamino)methyl]-3-(3-fluoro-2-morpholin-4-ylphenyl)-1,3-oxazol-2-one
SMILESO=c1oc(CN(Cc2ccccc2)Cc2ccccc2)cn1-c1cccc(F)c1N1CCOCC1
InChIInChI=1S/C28H28FN3O3/c29-25-12-7-13-26(27(25)31-14-16-34-17-15-31)32-21-24(35-28(32)33)20-30(18-22-8-3-1-4-9-22)19-23-10-5-2-6-11-23/h1-13,21H,14-20H2
InChIKeyOMKXNXABZYGYKA-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.61
Rot. Bonds8

About 5-[(dibenzylamino)methyl]-3-(3-fluoro-2-morpholin-4-ylphenyl)-1,3-oxazol-2-one

5-[(dibenzylamino)methyl]-3-(3-fluoro-2-morpholin-4-ylphenyl)-1,3-oxazol-2-one (PubChem CID 66998188) has the molecular formula C28H28FN3O3 and a molecular weight of 473.55 g/mol. Its IUPAC name is 5-[(dibenzylamino)methyl]-3-(3-fluoro-2-morpholin-4-ylphenyl)-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-[(dibenzylamino)methyl]-3-(3-fluoro-2-morpholin-4-ylphenyl)-1,3-oxazol-2-one
PubChem CID66998188
Molecular FormulaC28H28FN3O3
Molecular Weight473.55 g/mol
Exact Mass473.21
IUPAC Name5-[(dibenzylamino)methyl]-3-(3-fluoro-2-morpholin-4-ylphenyl)-1,3-oxazol-2-one
SMILESO=c1oc(CN(Cc2ccccc2)Cc2ccccc2)cn1-c1cccc(F)c1N1CCOCC1
InChIInChI=1S/C28H28FN3O3/c29-25-12-7-13-26(27(25)31-14-16-34-17-15-31)32-21-24(35-28(32)33)20-30(18-22-8-3-1-4-9-22)19-23-10-5-2-6-11-23/h1-13,21H,14-20H2
InChIKeyOMKXNXABZYGYKA-UHFFFAOYSA-N
XLogP4.61
TPSA50.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,6-difluorophenyl)morpholine;ethane
CID 156637338
4-(2-fluoro-6-isocyanatophenyl)morpholine
CID 22246705
3-fluoro-2-morpholin-4-ylbenzamide
CID 157343008
N'-[(2-morpholin-4-ylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120913004
6-benzyl-3-chloro-4-morpholin-4-ylpyran-2-one
CID 12742080
2-fluoro-6-morpholin-4-ylphenol
CID 46737228
N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 107367226
3-(3-fluoro-2-morpholin-4-ylphenyl)propan-1-amine
CID 170879139
4-(3-fluoro-2-nitrophenyl)morpholine
CID 53255500
1-(2-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110560663
N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-2-morpholin-4-ylphenyl)acetamide
CID 175412427
(3R)-1-(2-fluorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51925069

Frequently Asked Questions

What is the IUPAC name of 5-[(dibenzylamino)methyl]-3-(3-fluoro-2-morpholin-4-ylphenyl)-1,3-oxazol-2-one?
The IUPAC name of 5-[(dibenzylamino)methyl]-3-(3-fluoro-2-morpholin-4-ylphenyl)-1,3-oxazol-2-one (CID 66998188) is 5-[(dibenzylamino)methyl]-3-(3-fluoro-2-morpholin-4-ylphenyl)-1,3-oxazol-2-one.
What is the SMILES notation for 5-[(dibenzylamino)methyl]-3-(3-fluoro-2-morpholin-4-ylphenyl)-1,3-oxazol-2-one?
The canonical SMILES for 5-[(dibenzylamino)methyl]-3-(3-fluoro-2-morpholin-4-ylphenyl)-1,3-oxazol-2-one is O=c1oc(CN(Cc2ccccc2)Cc2ccccc2)cn1-c1cccc(F)c1N1CCOCC1.
What is the InChIKey of 5-[(dibenzylamino)methyl]-3-(3-fluoro-2-morpholin-4-ylphenyl)-1,3-oxazol-2-one?
The InChIKey is OMKXNXABZYGYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O3/c29-25-12-7-13-26(27(25)31-14-16-34-17-15-31)32-21-24(35-28(32)33)20-30(18-22-8-3-1-4-9-22)19-23-10-5-2-6-11-23/h1-13,21H,14-20H2.
What are the key properties of 5-[(dibenzylamino)methyl]-3-(3-fluoro-2-morpholin-4-ylphenyl)-1,3-oxazol-2-one?
5-[(dibenzylamino)methyl]-3-(3-fluoro-2-morpholin-4-ylphenyl)-1,3-oxazol-2-one has a molecular weight of 473.55 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dibenzylamino)methyl]-3-(3-fluoro-2-morpholin-4-ylphenyl)-1,3-oxazol-2-one is sourced from PubChem (CID 66998188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).