sodium;hydride;4-methyl-1,3-benzoxazole-2-carboxylic acid

C9H8NNaO3 — CID 173103744

IUPACsodium;hydride;4-methyl-1,3-benzoxazole-2-carboxylic acid
SMILESCc1cccc2oc(C(=O)O)nc12.[H-].[Na+]
InChIInChI=1S/C9H7NO3.Na.H/c1-5-3-2-4-6-7(5)10-8(13-6)9(11)12;;/h2-4H,1H3,(H,11,12);;/q;+1;-1
InChIKeyOOSQJMUMOHWTED-UHFFFAOYSA-N
MW201.16 g/mol
LogP-1.05
Rot. Bonds1

About sodium;hydride;4-methyl-1,3-benzoxazole-2-carboxylic acid

sodium;hydride;4-methyl-1,3-benzoxazole-2-carboxylic acid (PubChem CID 173103744) has the molecular formula C9H8NNaO3 and a molecular weight of 201.16 g/mol. Its IUPAC name is sodium;hydride;4-methyl-1,3-benzoxazole-2-carboxylic acid.

Molecular Properties

Compound Namesodium;hydride;4-methyl-1,3-benzoxazole-2-carboxylic acid
PubChem CID173103744
Molecular FormulaC9H8NNaO3
Molecular Weight201.16 g/mol
Exact Mass201.04
IUPAC Namesodium;hydride;4-methyl-1,3-benzoxazole-2-carboxylic acid
SMILESCc1cccc2oc(C(=O)O)nc12.[H-].[Na+]
InChIInChI=1S/C9H7NO3.Na.H/c1-5-3-2-4-6-7(5)10-8(13-6)9(11)12;;/h2-4H,1H3,(H,11,12);;/q;+1;-1
InChIKeyOOSQJMUMOHWTED-UHFFFAOYSA-N
XLogP-1.05
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(4-methyl-1,3-benzoxazol-2-yl)propanoic acid
CID 83859383
4-(difluoromethoxy)-1,3-benzoxazole-2-carboxylic acid
CID 118846827
2-[(4-methyl-1,3-benzoxazol-2-yl)amino]propanoic acid
CID 83837550
4-(trifluoromethylsulfanyl)-1,3-benzoxazole-2-carboxylic acid
CID 118806650
2-bromo-4-methyl-1,3-benzoxazole
CID 83754437
1-(4-methyl-1,3-benzoxazol-2-yl)butan-2-one
CID 112710879
2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81479496
5-chloro-4-phenyl-1,3-benzoxazole-2-carboxylic acid
CID 91322563
3-amino-3-(4-methyl-1,3-benzoxazol-2-yl)propan-1-ol
CID 61230082
4-methyl-2-(trifluoromethyl)-1,3-benzoxazole
CID 13278515
4-ethyl-1,3-benzoxazole-2-carboxamide
CID 118827629
1-[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]ethanone
CID 119014536

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-methyl-1,3-benzoxazole-2-carboxylic acid?
The IUPAC name of sodium;hydride;4-methyl-1,3-benzoxazole-2-carboxylic acid (CID 173103744) is sodium;hydride;4-methyl-1,3-benzoxazole-2-carboxylic acid.
What is the SMILES notation for sodium;hydride;4-methyl-1,3-benzoxazole-2-carboxylic acid?
The canonical SMILES for sodium;hydride;4-methyl-1,3-benzoxazole-2-carboxylic acid is Cc1cccc2oc(C(=O)O)nc12.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-methyl-1,3-benzoxazole-2-carboxylic acid?
The InChIKey is OOSQJMUMOHWTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3.Na.H/c1-5-3-2-4-6-7(5)10-8(13-6)9(11)12;;/h2-4H,1H3,(H,11,12);;/q;+1;-1.
What are the key properties of sodium;hydride;4-methyl-1,3-benzoxazole-2-carboxylic acid?
sodium;hydride;4-methyl-1,3-benzoxazole-2-carboxylic acid has a molecular weight of 201.16 g/mol, XLogP of -1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-methyl-1,3-benzoxazole-2-carboxylic acid is sourced from PubChem (CID 173103744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).