2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde

C11H11NO3 — CID 82396380

IUPAC2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde
SMILESO=Cc1occ2nc(C3CCCC3)oc12
InChIInChI=1S/C11H11NO3/c13-5-9-10-8(6-14-9)12-11(15-10)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeySKLSBWCCXCGMLK-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.89
Rot. Bonds2

About 2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde

2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde (PubChem CID 82396380) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde.

Molecular Properties

Compound Name2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde
PubChem CID82396380
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde
SMILESO=Cc1occ2nc(C3CCCC3)oc12
InChIInChI=1S/C11H11NO3/c13-5-9-10-8(6-14-9)12-11(15-10)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeySKLSBWCCXCGMLK-UHFFFAOYSA-N
XLogP2.89
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine
CID 82231333
6,7-dichloro-2-cyclopentyl-1,3-benzoxazole
CID 82232727
1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone
CID 82231282
2-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde
CID 82390482
5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine
CID 82231734
5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole
CID 82234029
2-(furan-2-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde
CID 82396986
4-cyclohexyl-1,3-oxazole-5-carbaldehyde
CID 83816829
2-cyclopropyl-1,3-oxazole-4-carbaldehyde
CID 83478954
2-cyclobutyl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole
CID 96612054
7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine
CID 94979355
2-cyclobutylthieno[3,2-d][1,3]oxazole-5-carboxylic acid
CID 96605853

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde?
The IUPAC name of 2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde (CID 82396380) is 2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde.
What is the SMILES notation for 2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde?
The canonical SMILES for 2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde is O=Cc1occ2nc(C3CCCC3)oc12.
What is the InChIKey of 2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde?
The InChIKey is SKLSBWCCXCGMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-5-9-10-8(6-14-9)12-11(15-10)7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of 2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde?
2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde has a molecular weight of 205.21 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde is sourced from PubChem (CID 82396380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).