(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate

C11H10NO3- — CID 7446724

IUPAC(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate
SMILESC[C@]1(C(=O)[O-])CC(c2ccccc2)=NO1
InChIInChI=1S/C11H11NO3/c1-11(10(13)14)7-9(12-15-11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,14)/p-1/t11-/m1/s1
InChIKeyHHSXXVCKNAZBGR-LLVKDONJSA-M
MW204.21 g/mol
LogP0.32
Rot. Bonds2

About (5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate

(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate (PubChem CID 7446724) has the molecular formula C11H10NO3- and a molecular weight of 204.21 g/mol. Its IUPAC name is (5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate
PubChem CID7446724
Molecular FormulaC11H10NO3-
Molecular Weight204.21 g/mol
Exact Mass204.07
IUPAC Name(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate
SMILESC[C@]1(C(=O)[O-])CC(c2ccccc2)=NO1
InChIInChI=1S/C11H11NO3/c1-11(10(13)14)7-9(12-15-11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,14)/p-1/t11-/m1/s1
InChIKeyHHSXXVCKNAZBGR-LLVKDONJSA-M
XLogP0.32
TPSA61.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051942
5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 53016965
(5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051944
azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone
CID 97465776
(5S)-5-methyl-3-phenyl-N-(2-phenylethyl)-4H-1,2-oxazole-5-carboxamide
CID 97465490
(5S)-N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051970
(5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 93019883
3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 42882800
[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 97465323
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 91954151
(5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465358
(5R)-5-methyl-N-(6-methyl-2-pyridinyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465353

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of (5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate (CID 7446724) is (5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for (5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for (5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate is C[C@]1(C(=O)[O-])CC(c2ccccc2)=NO1.
What is the InChIKey of (5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is HHSXXVCKNAZBGR-LLVKDONJSA-M. The full InChI is InChI=1S/C11H11NO3/c1-11(10(13)14)7-9(12-15-11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,14)/p-1/t11-/m1/s1.
What are the key properties of (5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate?
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 204.21 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 7446724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).