3,4-dibenzyl-5-methoxy-1,3-oxazol-2-one

C18H17NO3 — CID 22728471

IUPAC3,4-dibenzyl-5-methoxy-1,3-oxazol-2-one
SMILESCOc1oc(=O)n(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C18H17NO3/c1-21-17-16(12-14-8-4-2-5-9-14)19(18(20)22-17)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyLVIRPZOJVLWLSC-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.09
Rot. Bonds5

About 3,4-dibenzyl-5-methoxy-1,3-oxazol-2-one

3,4-dibenzyl-5-methoxy-1,3-oxazol-2-one (PubChem CID 22728471) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3,4-dibenzyl-5-methoxy-1,3-oxazol-2-one.

Molecular Properties

Compound Name3,4-dibenzyl-5-methoxy-1,3-oxazol-2-one
PubChem CID22728471
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name3,4-dibenzyl-5-methoxy-1,3-oxazol-2-one
SMILESCOc1oc(=O)n(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C18H17NO3/c1-21-17-16(12-14-8-4-2-5-9-14)19(18(20)22-17)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyLVIRPZOJVLWLSC-UHFFFAOYSA-N
XLogP3.09
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzhydryl-5-methoxy-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazol-2-one
CID 22728494
3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione
CID 131857932
3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one
CID 91929886
3-benzyl-5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,3-oxazol-2-one
CID 102591114
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
1-benzyl-3,1-benzoxazine-2,4-dione
CID 520756
1,3,6-tribenzyl-5-bromopyrimidine-2,4-dione
CID 141136324
3-benzyl-4-bromo-5-phenyl-1,3-oxazol-2-one
CID 164685094
1-benzyl-4-hydroxy-3-methoxy-5,6-dimethylpyridin-2-one
CID 54710992
1,6-dibenzyl-5-bromopyrimidine-2,4-dione
CID 71724756
4-benzyl-3-methyl-1,2,4-oxadiazol-5-one
CID 15041338
6-benzyl-5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one
CID 53242453

Frequently Asked Questions

What is the IUPAC name of 3,4-dibenzyl-5-methoxy-1,3-oxazol-2-one?
The IUPAC name of 3,4-dibenzyl-5-methoxy-1,3-oxazol-2-one (CID 22728471) is 3,4-dibenzyl-5-methoxy-1,3-oxazol-2-one.
What is the SMILES notation for 3,4-dibenzyl-5-methoxy-1,3-oxazol-2-one?
The canonical SMILES for 3,4-dibenzyl-5-methoxy-1,3-oxazol-2-one is COc1oc(=O)n(Cc2ccccc2)c1Cc1ccccc1.
What is the InChIKey of 3,4-dibenzyl-5-methoxy-1,3-oxazol-2-one?
The InChIKey is LVIRPZOJVLWLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-17-16(12-14-8-4-2-5-9-14)19(18(20)22-17)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3.
What are the key properties of 3,4-dibenzyl-5-methoxy-1,3-oxazol-2-one?
3,4-dibenzyl-5-methoxy-1,3-oxazol-2-one has a molecular weight of 295.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibenzyl-5-methoxy-1,3-oxazol-2-one is sourced from PubChem (CID 22728471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).