methyl 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylate

C11H11NO3 — CID 91319811

IUPACmethyl 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1C=C(c2ccccc2)NO1
InChIInChI=1S/C11H11NO3/c1-14-11(13)10-7-9(12-15-10)8-5-3-2-4-6-8/h2-7,10,12H,1H3
InChIKeyQCPASPWTOYOWNP-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.10
Rot. Bonds2

About methyl 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylate

methyl 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 91319811) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID91319811
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1C=C(c2ccccc2)NO1
InChIInChI=1S/C11H11NO3/c1-14-11(13)10-7-9(12-15-10)8-5-3-2-4-6-8/h2-7,10,12H,1H3
InChIKeyQCPASPWTOYOWNP-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Phenyl-4-methyl-5-hydroxy-isoxazole
CID 576162
3-[4-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56974051
3-(2-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56980972
3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57054153
3-[3-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57217620
3-(3-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57260376
Methyl 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 91470250
5-methyl-3-phenyl-2H-1,2-oxazole-5-carboxylic acid
CID 19976915
Methyl 3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 57004507
3-Phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57036549
Propan-2-yl 3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 57042460
Methyl 3-(3-cyanophenyl)-4-methyl-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 57076786

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylate (CID 91319811) is methyl 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylate is COC(=O)C1C=C(c2ccccc2)NO1.
What is the InChIKey of methyl 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is QCPASPWTOYOWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-14-11(13)10-7-9(12-15-10)8-5-3-2-4-6-8/h2-7,10,12H,1H3.
What are the key properties of methyl 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylate?
methyl 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 205.21 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 91319811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).