5-phenyl-1,3-oxazole-4-carboxylate

C10H6NO3- — CID 6932039

IUPAC5-phenyl-1,3-oxazole-4-carboxylate
SMILESO=C([O-])c1ncoc1-c1ccccc1
InChIInChI=1S/C10H7NO3/c12-10(13)8-9(14-6-11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)/p-1
InChIKeyRUKDIKJSGDVSIF-UHFFFAOYSA-M
MW188.16 g/mol
LogP0.71
Rot. Bonds2

About 5-phenyl-1,3-oxazole-4-carboxylate

5-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 6932039) has the molecular formula C10H6NO3- and a molecular weight of 188.16 g/mol. Its IUPAC name is 5-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name5-phenyl-1,3-oxazole-4-carboxylate
PubChem CID6932039
Molecular FormulaC10H6NO3-
Molecular Weight188.16 g/mol
Exact Mass188.04
IUPAC Name5-phenyl-1,3-oxazole-4-carboxylate
SMILESO=C([O-])c1ncoc1-c1ccccc1
InChIInChI=1S/C10H7NO3/c12-10(13)8-9(14-6-11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)/p-1
InChIKeyRUKDIKJSGDVSIF-UHFFFAOYSA-M
XLogP0.71
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-phenyl-1,3-oxazole-4-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

N,N-diethyl-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689253
2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
CID 67884067
ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 100802140
(5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110689240
N-(2-methylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689264
5-pyridin-3-yl-1,3-oxazole-4-carboxylic acid
CID 28875589
5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylic acid
CID 66928357
N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689255
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 134397018
3-phenylpyrazine-2-carboxylate
CID 35549380
5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 2739751
N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689223

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of 5-phenyl-1,3-oxazole-4-carboxylate (CID 6932039) is 5-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for 5-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for 5-phenyl-1,3-oxazole-4-carboxylate is O=C([O-])c1ncoc1-c1ccccc1.
What is the InChIKey of 5-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is RUKDIKJSGDVSIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7NO3/c12-10(13)8-9(14-6-11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)/p-1.
What are the key properties of 5-phenyl-1,3-oxazole-4-carboxylate?
5-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 188.16 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 6932039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).