3-(3-cyclopentyloxy-4-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carbaldehyde

C16H19NO4 — CID 57160895

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carbaldehyde
SMILESCOc1ccc(C2=CC(C=O)ON2)cc1OC1CCCC1
InChIInChI=1S/C16H19NO4/c1-19-15-7-6-11(14-9-13(10-18)21-17-14)8-16(15)20-12-4-2-3-5-12/h6-10,12-13,17H,2-5H2,1H3
InChIKeyQXOOQWJJNHMIMN-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.46
Rot. Bonds5

About 3-(3-cyclopentyloxy-4-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carbaldehyde

3-(3-cyclopentyloxy-4-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carbaldehyde (PubChem CID 57160895) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carbaldehyde
PubChem CID57160895
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carbaldehyde
SMILESCOc1ccc(C2=CC(C=O)ON2)cc1OC1CCCC1
InChIInChI=1S/C16H19NO4/c1-19-15-7-6-11(14-9-13(10-18)21-17-14)8-16(15)20-12-4-2-3-5-12/h6-10,12-13,17H,2-5H2,1H3
InChIKeyQXOOQWJJNHMIMN-UHFFFAOYSA-N
XLogP2.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene
CID 91494855
2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene
CID 18778842
3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopent-2-en-1-ol
CID 18957483
3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole
CID 91531973
4-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroimidazol-2-one
CID 54226291
2-cyclopentyloxy-1-methoxy-4-(3-methoxyphenyl)benzene
CID 18778852
N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1H-imidazol-5-yl]formamide
CID 57122404
4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one
CID 25133793
5-(3-cyclopentyloxy-4-methoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one
CID 142663125
2-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 1236370
[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone
CID 91270856
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazole-5-carbonyl]piperidin-4-one
CID 91203231

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carbaldehyde?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carbaldehyde (CID 57160895) is 3-(3-cyclopentyloxy-4-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carbaldehyde.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carbaldehyde?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carbaldehyde is COc1ccc(C2=CC(C=O)ON2)cc1OC1CCCC1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carbaldehyde?
The InChIKey is QXOOQWJJNHMIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-19-15-7-6-11(14-9-13(10-18)21-17-14)8-16(15)20-12-4-2-3-5-12/h6-10,12-13,17H,2-5H2,1H3.
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carbaldehyde?
3-(3-cyclopentyloxy-4-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carbaldehyde has a molecular weight of 289.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carbaldehyde is sourced from PubChem (CID 57160895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).