ethane;2-methyl-1,3-oxazole-4-carboxylic acid

C7H11NO3 — CID 144678746

IUPACethane;2-methyl-1,3-oxazole-4-carboxylic acid
SMILESCC.Cc1nc(C(=O)O)co1
InChIInChI=1S/C5H5NO3.C2H6/c1-3-6-4(2-9-3)5(7)8;1-2/h2H,1H3,(H,7,8);1-2H3
InChIKeyUNSWRBLCRUXYMT-UHFFFAOYSA-N
MW157.17 g/mol
LogP1.71
Rot. Bonds1

About ethane;2-methyl-1,3-oxazole-4-carboxylic acid

ethane;2-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 144678746) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is ethane;2-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Nameethane;2-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID144678746
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Nameethane;2-methyl-1,3-oxazole-4-carboxylic acid
SMILESCC.Cc1nc(C(=O)O)co1
InChIInChI=1S/C5H5NO3.C2H6/c1-3-6-4(2-9-3)5(7)8;1-2/h2H,1H3,(H,7,8);1-2H3
InChIKeyUNSWRBLCRUXYMT-UHFFFAOYSA-N
XLogP1.71
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1,3-oxazole-4-carboxamide
CID 10796748
2-acetyl-1,3-oxazole-4-carboxylic acid
CID 67168521
1-(2-methyl-1,3-oxazol-4-yl)but-3-en-1-one
CID 130517553
(2-methyl-1,3-oxazol-4-yl)-naphthalen-1-ylmethanone
CID 114282561
2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82478867
ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methyl-1,3-oxazole
CID 143637448
2-(2-chlorothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone
CID 164651090
2-methyl-N-(3-phenylcyclobutyl)-1,3-oxazole-4-carboxamide
CID 138993563
N-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30464297
N-(2,3-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30464286
(3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid
CID 100802472
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402898

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of ethane;2-methyl-1,3-oxazole-4-carboxylic acid (CID 144678746) is ethane;2-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for ethane;2-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for ethane;2-methyl-1,3-oxazole-4-carboxylic acid is CC.Cc1nc(C(=O)O)co1.
What is the InChIKey of ethane;2-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is UNSWRBLCRUXYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3.C2H6/c1-3-6-4(2-9-3)5(7)8;1-2/h2H,1H3,(H,7,8);1-2H3.
What are the key properties of ethane;2-methyl-1,3-oxazole-4-carboxylic acid?
ethane;2-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 144678746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).