1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol

C17H21NO4 — CID 118305351

IUPAC1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol
SMILESCOc1ccc(-c2cc(C(C)O)on2)cc1OC1CCCC1
InChIInChI=1S/C17H21NO4/c1-11(19)16-10-14(18-22-16)12-7-8-15(20-2)17(9-12)21-13-5-3-4-6-13/h7-11,13,19H,3-6H2,1-2H3
InChIKeySLRARAVOVHEMFX-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.72
Rot. Bonds5

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

1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol (PubChem CID 118305351) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol
PubChem CID118305351
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol
SMILESCOc1ccc(-c2cc(C(C)O)on2)cc1OC1CCCC1
InChIInChI=1S/C17H21NO4/c1-11(19)16-10-14(18-22-16)12-7-8-15(20-2)17(9-12)21-13-5-3-4-6-13/h7-11,13,19H,3-6H2,1-2H3
InChIKeySLRARAVOVHEMFX-UHFFFAOYSA-N
XLogP3.72
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol with MolForge

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Related Compounds

3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117469039
3-(4-methoxy-3-piperidin-3-yloxyphenyl)-1,2-oxazol-5-amine
CID 117467462
4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyridin-3-ol
CID 57267140
bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone
CID 67693091
3-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117446070
1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 43503851
2-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 1236370
3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117490575
3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopent-2-en-1-ol
CID 18957483
4-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroimidazol-2-one
CID 54226291
2-cyclopentyloxy-1-methoxy-4-(3-methoxyphenyl)benzene
CID 18778852
3-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491631

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol (CID 118305351) is 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol is COc1ccc(-c2cc(C(C)O)on2)cc1OC1CCCC1.
What is the InChIKey of 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol?
The InChIKey is SLRARAVOVHEMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-11(19)16-10-14(18-22-16)12-7-8-15(20-2)17(9-12)21-13-5-3-4-6-13/h7-11,13,19H,3-6H2,1-2H3.
What are the key properties of 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol?
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol has a molecular weight of 303.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 118305351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).