5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid

C12H8N2O5 — CID 82500452

IUPAC5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid
SMILESCn1c(=O)oc2cc(-c3cc(C(=O)O)no3)ccc21
InChIInChI=1S/C12H8N2O5/c1-14-8-3-2-6(4-10(8)18-12(14)17)9-5-7(11(15)16)13-19-9/h2-5H,1H3,(H,15,16)
InChIKeyNMVRJFWACLPPIC-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.48
Rot. Bonds2

About 5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid

5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 82500452) has the molecular formula C12H8N2O5 and a molecular weight of 260.21 g/mol. Its IUPAC name is 5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID82500452
Molecular FormulaC12H8N2O5
Molecular Weight260.21 g/mol
Exact Mass260.04
IUPAC Name5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid
SMILESCn1c(=O)oc2cc(-c3cc(C(=O)O)no3)ccc21
InChIInChI=1S/C12H8N2O5/c1-14-8-3-2-6(4-10(8)18-12(14)17)9-5-7(11(15)16)13-19-9/h2-5H,1H3,(H,15,16)
InChIKeyNMVRJFWACLPPIC-UHFFFAOYSA-N
XLogP1.48
TPSA98.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid
CID 115003560
5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117329817
5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117359203
5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 117331927
5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid
CID 155392679
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885
6-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one
CID 53139242
5-[3-(2,4-dichlorophenyl)-1,9-dimethyl-2-oxopyrido[2,3-b]indol-6-yl]-1,2-oxazole-3-carboxylic acid
CID 68574497
methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamic acid
CID 115170784
5-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 117433591
3-methyl-6-[4-(methylamino)-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one
CID 116864462
6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 28913193

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid (CID 82500452) is 5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid is Cn1c(=O)oc2cc(-c3cc(C(=O)O)no3)ccc21.
What is the InChIKey of 5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is NMVRJFWACLPPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O5/c1-14-8-3-2-6(4-10(8)18-12(14)17)9-5-7(11(15)16)13-19-9/h2-5H,1H3,(H,15,16).
What are the key properties of 5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid?
5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 260.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 82500452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).