3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carboxylic acid

C14H12N2O5 — CID 82371321

IUPAC3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carboxylic acid
SMILESCC1Oc2ccc(-c3cc(C(=O)O)on3)cc2N(C)C1=O
InChIInChI=1S/C14H12N2O5/c1-7-13(17)16(2)10-5-8(3-4-11(10)20-7)9-6-12(14(18)19)21-15-9/h3-7H,1-2H3,(H,18,19)
InChIKeyHGYDWIHANSUASA-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.78
Rot. Bonds2

About 3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carboxylic acid

3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 82371321) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID82371321
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carboxylic acid
SMILESCC1Oc2ccc(-c3cc(C(=O)O)on3)cc2N(C)C1=O
InChIInChI=1S/C14H12N2O5/c1-7-13(17)16(2)10-5-8(3-4-11(10)20-7)9-6-12(14(18)19)21-15-9/h3-7H,1-2H3,(H,18,19)
InChIKeyHGYDWIHANSUASA-UHFFFAOYSA-N
XLogP1.78
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[5-(aminomethyl)-1,2-oxazol-3-yl]-2,4-dimethyl-1,4-benzoxazin-3-one
CID 82371323
3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1-methylpyrazole-5-carbaldehyde
CID 84761409
(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 30772175
2-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methylamino]acetic acid
CID 82501420
6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one
CID 44714874
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51065384
3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid
CID 55035014
3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carbonyl chloride
CID 82371328
2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110770696
6-(5-amino-1,3-thiazol-4-yl)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 82489147
N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]acetamide
CID 110783694
3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxopropanal
CID 82479708

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carboxylic acid (CID 82371321) is 3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carboxylic acid is CC1Oc2ccc(-c3cc(C(=O)O)on3)cc2N(C)C1=O.
What is the InChIKey of 3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is HGYDWIHANSUASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-7-13(17)16(2)10-5-8(3-4-11(10)20-7)9-6-12(14(18)19)21-15-9/h3-7H,1-2H3,(H,18,19).
What are the key properties of 3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carboxylic acid?
3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 288.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 82371321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).