2-[(1-methoxycyclobutyl)methyl]-4-propyl-1,3-oxazole-5-carboxylic acid

C13H19NO4 — CID 103558549

IUPAC2-[(1-methoxycyclobutyl)methyl]-4-propyl-1,3-oxazole-5-carboxylic acid
SMILESCCCc1nc(CC2(OC)CCC2)oc1C(=O)O
InChIInChI=1S/C13H19NO4/c1-3-5-9-11(12(15)16)18-10(14-9)8-13(17-2)6-4-7-13/h3-8H2,1-2H3,(H,15,16)
InChIKeyFEORSVLGMLXCTQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.44
Rot. Bonds6

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

2-[(1-methoxycyclobutyl)methyl]-4-propyl-1,3-oxazole-5-carboxylic acid (PubChem CID 103558549) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(1-methoxycyclobutyl)methyl]-4-propyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methoxycyclobutyl)methyl]-4-propyl-1,3-oxazole-5-carboxylic acid
PubChem CID103558549
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-[(1-methoxycyclobutyl)methyl]-4-propyl-1,3-oxazole-5-carboxylic acid
SMILESCCCc1nc(CC2(OC)CCC2)oc1C(=O)O
InChIInChI=1S/C13H19NO4/c1-3-5-9-11(12(15)16)18-10(14-9)8-13(17-2)6-4-7-13/h3-8H2,1-2H3,(H,15,16)
InChIKeyFEORSVLGMLXCTQ-UHFFFAOYSA-N
XLogP2.44
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxycyclobutyl)methyl]-4-propyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-[(1-methoxycyclobutyl)methyl]-4-propyl-1,3-oxazole-5-carboxylic acid (CID 103558549) is 2-[(1-methoxycyclobutyl)methyl]-4-propyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-[(1-methoxycyclobutyl)methyl]-4-propyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-[(1-methoxycyclobutyl)methyl]-4-propyl-1,3-oxazole-5-carboxylic acid is CCCc1nc(CC2(OC)CCC2)oc1C(=O)O.
What is the InChIKey of 2-[(1-methoxycyclobutyl)methyl]-4-propyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is FEORSVLGMLXCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-5-9-11(12(15)16)18-10(14-9)8-13(17-2)6-4-7-13/h3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[(1-methoxycyclobutyl)methyl]-4-propyl-1,3-oxazole-5-carboxylic acid?
2-[(1-methoxycyclobutyl)methyl]-4-propyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxycyclobutyl)methyl]-4-propyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103558549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).