2-[(1R,2R)-2-ethylcyclopropyl]-5-methyl-1,3-oxazole-4-carboxylic acid

C10H13NO3 — CID 130775617

IUPAC2-[(1R,2R)-2-ethylcyclopropyl]-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCC[C@@H]1C[C@H]1c1nc(C(=O)O)c(C)o1
InChIInChI=1S/C10H13NO3/c1-3-6-4-7(6)9-11-8(10(12)13)5(2)14-9/h6-7H,3-4H2,1-2H3,(H,12,13)/t6-,7-/m1/s1
InChIKeyYGMCGZGZNORFBQ-RNFRBKRXSA-N
MW195.22 g/mol
LogP2.19
Rot. Bonds3

About 2-[(1R,2R)-2-ethylcyclopropyl]-5-methyl-1,3-oxazole-4-carboxylic acid

2-[(1R,2R)-2-ethylcyclopropyl]-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 130775617) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[(1R,2R)-2-ethylcyclopropyl]-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1R,2R)-2-ethylcyclopropyl]-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID130775617
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-[(1R,2R)-2-ethylcyclopropyl]-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCC[C@@H]1C[C@H]1c1nc(C(=O)O)c(C)o1
InChIInChI=1S/C10H13NO3/c1-3-6-4-7(6)9-11-8(10(12)13)5(2)14-9/h6-7H,3-4H2,1-2H3,(H,12,13)/t6-,7-/m1/s1
InChIKeyYGMCGZGZNORFBQ-RNFRBKRXSA-N
XLogP2.19
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxycyclopropyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 164645787
2-bromo-5-methyl-1,3-oxazole-4-carboxylic acid
CID 58881989
5-methyl-2-propyl-1,3-oxazole-4-carboxylic acid
CID 62232826
5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid
CID 146154991
5-methyl-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid
CID 10851449
2-[(2S)-1-cyclohexylsulfonylpiperidin-2-yl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 166545273
2-(2-aminoethyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 83384278
5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid
CID 85274193
5-methyl-2-(2-methylpropoxy)-1,3-oxazole-4-carboxylic acid
CID 83619738
2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 107974660
methyl 5-methyl-2-(oxetan-3-yl)-1,3-oxazole-4-carboxylate
CID 130058460
2-(3-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953899

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-ethylcyclopropyl]-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(1R,2R)-2-ethylcyclopropyl]-5-methyl-1,3-oxazole-4-carboxylic acid (CID 130775617) is 2-[(1R,2R)-2-ethylcyclopropyl]-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(1R,2R)-2-ethylcyclopropyl]-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(1R,2R)-2-ethylcyclopropyl]-5-methyl-1,3-oxazole-4-carboxylic acid is CC[C@@H]1C[C@H]1c1nc(C(=O)O)c(C)o1.
What is the InChIKey of 2-[(1R,2R)-2-ethylcyclopropyl]-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is YGMCGZGZNORFBQ-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-6-4-7(6)9-11-8(10(12)13)5(2)14-9/h6-7H,3-4H2,1-2H3,(H,12,13)/t6-,7-/m1/s1.
What are the key properties of 2-[(1R,2R)-2-ethylcyclopropyl]-5-methyl-1,3-oxazole-4-carboxylic acid?
2-[(1R,2R)-2-ethylcyclopropyl]-5-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-ethylcyclopropyl]-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 130775617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).