2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxyacetamide

C17H22N2O5 — CID 10664439

IUPAC2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxyacetamide
SMILESCOc1ccc(C2=NOC(CC(=O)NO)C2)cc1OC1CCCC1
InChIInChI=1S/C17H22N2O5/c1-22-15-7-6-11(8-16(15)23-12-4-2-3-5-12)14-9-13(24-19-14)10-17(20)18-21/h6-8,12-13,21H,2-5,9-10H2,1H3,(H,18,20)
InChIKeyVSPGQUIYSBELGU-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.41
Rot. Bonds6

About 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxyacetamide

2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxyacetamide (PubChem CID 10664439) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxyacetamide
PubChem CID10664439
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxyacetamide
SMILESCOc1ccc(C2=NOC(CC(=O)NO)C2)cc1OC1CCCC1
InChIInChI=1S/C17H22N2O5/c1-22-15-7-6-11(8-16(15)23-12-4-2-3-5-12)14-9-13(24-19-14)10-17(20)18-21/h6-8,12-13,21H,2-5,9-10H2,1H3,(H,18,20)
InChIKeyVSPGQUIYSBELGU-UHFFFAOYSA-N
XLogP2.41
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.41
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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Related Compounds

Filaminast
CID 9578243
3-(3-(cyclopentyloxy)-4-methoxyphenyl)-N-hydroxy-4,5-dihydroisoxazole-5-carboxamide
CID 9840066
(4aS,8aR)-4-(3-cyclopentyloxy-4-methoxyphenyl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
CID 10925930
4-(3-cyclopentyloxy-4-methoxyphenyl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
CID 10980802
4-(3-cyclopentyloxy-4-methoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
CID 11002318
cis-4-(3-Cyclopentyloxy-4-methoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
CID 11056941
(4aS,8aR)-4-(3-cyclopentyloxy-4-methoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
CID 11121365
3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-5-propyl-4H-1,2-oxazole-5-carboxamide
CID 10594814
3-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-N-hydroxy-4H-1,2-oxazole-5-carboxamide
CID 10760137
Ca-in-5g
CID 15381187
3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 44324331
3-(4-ethoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 76328451

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxyacetamide (CID 10664439) is 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxyacetamide is COc1ccc(C2=NOC(CC(=O)NO)C2)cc1OC1CCCC1.
What is the InChIKey of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxyacetamide?
The InChIKey is VSPGQUIYSBELGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-22-15-7-6-11(8-16(15)23-12-4-2-3-5-12)14-9-13(24-19-14)10-17(20)18-21/h6-8,12-13,21H,2-5,9-10H2,1H3,(H,18,20).
What are the key properties of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxyacetamide?
2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxyacetamide has a molecular weight of 334.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxyacetamide is sourced from PubChem (CID 10664439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).