3-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-N-hydroxy-4H-1,2-oxazole-5-carboxamide

C18H24N2O5 — CID 10760137

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-N-hydroxy-4H-1,2-oxazole-5-carboxamide
SMILESCCC1(C(=O)NO)CC(c2ccc(OC)c(OC3CCCC3)c2)=NO1
InChIInChI=1S/C18H24N2O5/c1-3-18(17(21)19-22)11-14(20-25-18)12-8-9-15(23-2)16(10-12)24-13-6-4-5-7-13/h8-10,13,22H,3-7,11H2,1-2H3,(H,19,21)
InChIKeyHTUFGGLEPYKOSR-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.80
Rot. Bonds6

About 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-N-hydroxy-4H-1,2-oxazole-5-carboxamide

3-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-N-hydroxy-4H-1,2-oxazole-5-carboxamide (PubChem CID 10760137) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-N-hydroxy-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-N-hydroxy-4H-1,2-oxazole-5-carboxamide
PubChem CID10760137
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-N-hydroxy-4H-1,2-oxazole-5-carboxamide
SMILESCCC1(C(=O)NO)CC(c2ccc(OC)c(OC3CCCC3)c2)=NO1
InChIInChI=1S/C18H24N2O5/c1-3-18(17(21)19-22)11-14(20-25-18)12-8-9-15(23-2)16(10-12)24-13-6-4-5-7-13/h8-10,13,22H,3-7,11H2,1-2H3,(H,19,21)
InChIKeyHTUFGGLEPYKOSR-UHFFFAOYSA-N
XLogP2.80
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-N-hydroxy-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-N-hydroxy-4H-1,2-oxazole-5-carboxamide (CID 10760137) is 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-N-hydroxy-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-N-hydroxy-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-N-hydroxy-4H-1,2-oxazole-5-carboxamide is CCC1(C(=O)NO)CC(c2ccc(OC)c(OC3CCCC3)c2)=NO1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-N-hydroxy-4H-1,2-oxazole-5-carboxamide?
The InChIKey is HTUFGGLEPYKOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-3-18(17(21)19-22)11-14(20-25-18)12-8-9-15(23-2)16(10-12)24-13-6-4-5-7-13/h8-10,13,22H,3-7,11H2,1-2H3,(H,19,21).
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-N-hydroxy-4H-1,2-oxazole-5-carboxamide?
3-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-N-hydroxy-4H-1,2-oxazole-5-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-N-hydroxy-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 10760137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).