2-(2-methoxycyclopropyl)-5-methyl-1,3-oxazole-4-carboxylic acid

C9H11NO4 — CID 164645787

IUPAC2-(2-methoxycyclopropyl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCOC1CC1c1nc(C(=O)O)c(C)o1
InChIInChI=1S/C9H11NO4/c1-4-7(9(11)12)10-8(14-4)5-3-6(5)13-2/h5-6H,3H2,1-2H3,(H,11,12)
InChIKeySTJRRAKEPJICTN-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.18
Rot. Bonds3

About 2-(2-methoxycyclopropyl)-5-methyl-1,3-oxazole-4-carboxylic acid

2-(2-methoxycyclopropyl)-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 164645787) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(2-methoxycyclopropyl)-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxycyclopropyl)-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID164645787
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-(2-methoxycyclopropyl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCOC1CC1c1nc(C(=O)O)c(C)o1
InChIInChI=1S/C9H11NO4/c1-4-7(9(11)12)10-8(14-4)5-3-6(5)13-2/h5-6H,3H2,1-2H3,(H,11,12)
InChIKeySTJRRAKEPJICTN-UHFFFAOYSA-N
XLogP1.18
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxycyclopropyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2-methoxycyclopropyl)-5-methyl-1,3-oxazole-4-carboxylic acid (CID 164645787) is 2-(2-methoxycyclopropyl)-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-methoxycyclopropyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2-methoxycyclopropyl)-5-methyl-1,3-oxazole-4-carboxylic acid is COC1CC1c1nc(C(=O)O)c(C)o1.
What is the InChIKey of 2-(2-methoxycyclopropyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is STJRRAKEPJICTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-4-7(9(11)12)10-8(14-4)5-3-6(5)13-2/h5-6H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-methoxycyclopropyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
2-(2-methoxycyclopropyl)-5-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxycyclopropyl)-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 164645787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).