[(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

C22H21NO5 — CID 40793044

IUPAC[(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCc1noc(C)c1COc1cccc(C(=O)O[C@H](C)C(=O)c2ccccc2)c1
InChIInChI=1S/C22H21NO5/c1-14-20(15(2)28-23-14)13-26-19-11-7-10-18(12-19)22(25)27-16(3)21(24)17-8-5-4-6-9-17/h4-12,16H,13H2,1-3H3/t16-/m1/s1
InChIKeyOWGDAPUZKQVKPW-MRXNPFEDSA-N
MW379.41 g/mol
LogP4.30
Rot. Bonds7

About [(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

[(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (PubChem CID 40793044) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is [(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
PubChem CID40793044
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name[(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCc1noc(C)c1COc1cccc(C(=O)O[C@H](C)C(=O)c2ccccc2)c1
InChIInChI=1S/C22H21NO5/c1-14-20(15(2)28-23-14)13-26-19-11-7-10-18(12-19)22(25)27-16(3)21(24)17-8-5-4-6-9-17/h4-12,16H,13H2,1-3H3/t16-/m1/s1
InChIKeyOWGDAPUZKQVKPW-MRXNPFEDSA-N
XLogP4.30
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate with MolForge

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Related Compounds

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2589193
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7269971
1-(2,5-difluorophenyl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55913740
[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2589019
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55420957
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1-phenylethyl)benzamide
CID 51188159
cyanomethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2637058
[2-(N-methylanilino)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2589269
[1-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55421030
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2639635
(2,5-dimethylphenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7186406
(3,4-dichlorophenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7186411

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The IUPAC name of [(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (CID 40793044) is [(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.
What is the SMILES notation for [(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The canonical SMILES for [(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is Cc1noc(C)c1COc1cccc(C(=O)O[C@H](C)C(=O)c2ccccc2)c1.
What is the InChIKey of [(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The InChIKey is OWGDAPUZKQVKPW-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21NO5/c1-14-20(15(2)28-23-14)13-26-19-11-7-10-18(12-19)22(25)27-16(3)21(24)17-8-5-4-6-9-17/h4-12,16H,13H2,1-3H3/t16-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
[(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate has a molecular weight of 379.41 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 40793044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).