4-benzyl-2-methyl-2H-1,3-oxazol-5-one

C11H11NO2 — CID 86161812

IUPAC4-benzyl-2-methyl-2H-1,3-oxazol-5-one
SMILESCC1N=C(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C11H11NO2/c1-8-12-10(11(13)14-8)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyLYQKLPODHDOOPY-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.57
Rot. Bonds2

About 4-benzyl-2-methyl-2H-1,3-oxazol-5-one

4-benzyl-2-methyl-2H-1,3-oxazol-5-one (PubChem CID 86161812) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-benzyl-2-methyl-2H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-benzyl-2-methyl-2H-1,3-oxazol-5-one
PubChem CID86161812
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name4-benzyl-2-methyl-2H-1,3-oxazol-5-one
SMILESCC1N=C(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C11H11NO2/c1-8-12-10(11(13)14-8)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyLYQKLPODHDOOPY-UHFFFAOYSA-N
XLogP1.57
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5(2H)-Oxazolone, 4-phenyl-2-(trifluoromethyl)-
CID 2740931
(Z)-ethyl 4-(hydroxyimino)-3-phenylpentanoate
CID 5914219
3-benzyl-1,2-oxazol-5(4H)-one
CID 16765178
3-[C-methyl-N-(2-phenylethyl)carbonimidoyl]oxolan-2-one
CID 2825484
Ethyl N-(oxomethylidene)phenylalaninate
CID 12370705
2-(2-methyl-5-phenyl-2H-imidazol-4-yl)acetic acid
CID 44427636
4-Benzyl-2-methyl-1,3-oxazol-5(4h)-one
CID 230424
5(2H)-Oxazolone, 4-(phenylmethyl)-
CID 562347
ethyl 3-phenyl-2H-azirine-2-carboxylate
CID 570795
5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid ethyl ester
CID 11106816
4-Benzyl-2,2-bis(trifluoromethyl)-1,3-oxazol-5-one
CID 12534593
Ethyl 2-diazo-3-(3-fluorophenyl)propanoate
CID 137316247

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methyl-2H-1,3-oxazol-5-one?
The IUPAC name of 4-benzyl-2-methyl-2H-1,3-oxazol-5-one (CID 86161812) is 4-benzyl-2-methyl-2H-1,3-oxazol-5-one.
What is the SMILES notation for 4-benzyl-2-methyl-2H-1,3-oxazol-5-one?
The canonical SMILES for 4-benzyl-2-methyl-2H-1,3-oxazol-5-one is CC1N=C(Cc2ccccc2)C(=O)O1.
What is the InChIKey of 4-benzyl-2-methyl-2H-1,3-oxazol-5-one?
The InChIKey is LYQKLPODHDOOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-12-10(11(13)14-8)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of 4-benzyl-2-methyl-2H-1,3-oxazol-5-one?
4-benzyl-2-methyl-2H-1,3-oxazol-5-one has a molecular weight of 189.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-methyl-2H-1,3-oxazol-5-one is sourced from PubChem (CID 86161812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).