4-cyclopropyl-2-[methoxy(phenyl)methyl]-1,3-oxazole-5-carboxylic acid

C15H15NO4 — CID 114374260

IUPAC4-cyclopropyl-2-[methoxy(phenyl)methyl]-1,3-oxazole-5-carboxylic acid
SMILESCOC(c1ccccc1)c1nc(C2CC2)c(C(=O)O)o1
InChIInChI=1S/C15H15NO4/c1-19-12(10-5-3-2-4-6-10)14-16-11(9-7-8-9)13(20-14)15(17)18/h2-6,9,12H,7-8H2,1H3,(H,17,18)
InChIKeyTVCPRVXPDIYFQT-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.99
Rot. Bonds5

About 4-cyclopropyl-2-[methoxy(phenyl)methyl]-1,3-oxazole-5-carboxylic acid

4-cyclopropyl-2-[methoxy(phenyl)methyl]-1,3-oxazole-5-carboxylic acid (PubChem CID 114374260) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-cyclopropyl-2-[methoxy(phenyl)methyl]-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-[methoxy(phenyl)methyl]-1,3-oxazole-5-carboxylic acid
PubChem CID114374260
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name4-cyclopropyl-2-[methoxy(phenyl)methyl]-1,3-oxazole-5-carboxylic acid
SMILESCOC(c1ccccc1)c1nc(C2CC2)c(C(=O)O)o1
InChIInChI=1S/C15H15NO4/c1-19-12(10-5-3-2-4-6-10)14-16-11(9-7-8-9)13(20-14)15(17)18/h2-6,9,12H,7-8H2,1H3,(H,17,18)
InChIKeyTVCPRVXPDIYFQT-UHFFFAOYSA-N
XLogP2.99
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methoxy(phenyl)methyl]-1,3-oxazole-4,5-dicarboxylic acid
CID 102953800
4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 82400587
4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid
CID 114374125
4-cyclopropyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid
CID 114374240
2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374227
5-[methoxy(phenyl)methyl]furan-2-carboxylic acid
CID 13153963
4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid
CID 114374304
2-[(S)-methoxy(phenyl)methyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
CID 125419425
[4-(hydroxymethyl)oxan-4-yl]-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170506982
2-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 170505516
5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 62098909
[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-pyridazin-3-ylmethanone
CID 169414930

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[methoxy(phenyl)methyl]-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-[methoxy(phenyl)methyl]-1,3-oxazole-5-carboxylic acid (CID 114374260) is 4-cyclopropyl-2-[methoxy(phenyl)methyl]-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-[methoxy(phenyl)methyl]-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-[methoxy(phenyl)methyl]-1,3-oxazole-5-carboxylic acid is COC(c1ccccc1)c1nc(C2CC2)c(C(=O)O)o1.
What is the InChIKey of 4-cyclopropyl-2-[methoxy(phenyl)methyl]-1,3-oxazole-5-carboxylic acid?
The InChIKey is TVCPRVXPDIYFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-19-12(10-5-3-2-4-6-10)14-16-11(9-7-8-9)13(20-14)15(17)18/h2-6,9,12H,7-8H2,1H3,(H,17,18).
What are the key properties of 4-cyclopropyl-2-[methoxy(phenyl)methyl]-1,3-oxazole-5-carboxylic acid?
4-cyclopropyl-2-[methoxy(phenyl)methyl]-1,3-oxazole-5-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[methoxy(phenyl)methyl]-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114374260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).