2-(5,6-dihydro-4H-1,3-oxazin-2-yl)benzoic acid

C11H11NO3 — CID 44725198

IUPAC2-(5,6-dihydro-4H-1,3-oxazin-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1C1=NCCCO1
InChIInChI=1S/C11H11NO3/c13-11(14)9-5-2-1-4-8(9)10-12-6-3-7-15-10/h1-2,4-5H,3,6-7H2,(H,13,14)
InChIKeyHOYLHLYXHLPQKM-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.55
Rot. Bonds2

About 2-(5,6-dihydro-4H-1,3-oxazin-2-yl)benzoic acid

2-(5,6-dihydro-4H-1,3-oxazin-2-yl)benzoic acid (PubChem CID 44725198) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-1,3-oxazin-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-1,3-oxazin-2-yl)benzoic acid
PubChem CID44725198
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-(5,6-dihydro-4H-1,3-oxazin-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1C1=NCCCO1
InChIInChI=1S/C11H11NO3/c13-11(14)9-5-2-1-4-8(9)10-12-6-3-7-15-10/h1-2,4-5H,3,6-7H2,(H,13,14)
InChIKeyHOYLHLYXHLPQKM-UHFFFAOYSA-N
XLogP1.55
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5,6-dihydro-4H-1,3-oxazin-2-yl)benzoic acid 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

2-(4,5-dihydro-1,3-oxazol-2-yl)benzamide
CID 174769294
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
3-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117395889
2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbamoyl]benzoic acid
CID 122605301
2-(4,5-dihydro-1H-imidazol-2-yl)benzoic acid
CID 22227306
2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 4133179
1,2-diazacycloundecene;phthalic acid
CID 158639627
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 101121393
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzoic acid
CID 66821500
hydroxy(trimethyl)silane;phthalic acid
CID 175037657

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-1,3-oxazin-2-yl)benzoic acid?
The IUPAC name of 2-(5,6-dihydro-4H-1,3-oxazin-2-yl)benzoic acid (CID 44725198) is 2-(5,6-dihydro-4H-1,3-oxazin-2-yl)benzoic acid.
What is the SMILES notation for 2-(5,6-dihydro-4H-1,3-oxazin-2-yl)benzoic acid?
The canonical SMILES for 2-(5,6-dihydro-4H-1,3-oxazin-2-yl)benzoic acid is O=C(O)c1ccccc1C1=NCCCO1.
What is the InChIKey of 2-(5,6-dihydro-4H-1,3-oxazin-2-yl)benzoic acid?
The InChIKey is HOYLHLYXHLPQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-11(14)9-5-2-1-4-8(9)10-12-6-3-7-15-10/h1-2,4-5H,3,6-7H2,(H,13,14).
What are the key properties of 2-(5,6-dihydro-4H-1,3-oxazin-2-yl)benzoic acid?
2-(5,6-dihydro-4H-1,3-oxazin-2-yl)benzoic acid has a molecular weight of 205.21 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-1,3-oxazin-2-yl)benzoic acid is sourced from PubChem (CID 44725198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).