5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-oxazole-4-carbaldehyde

C14H13NO2 — CID 82128256

IUPAC5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-oxazole-4-carbaldehyde
SMILESCc1noc(-c2ccc3c(c2)CCC3)c1C=O
InChIInChI=1S/C14H13NO2/c1-9-13(8-16)14(17-15-9)12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3
InChIKeyHXLPSYCOHQQYLU-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.95
Rot. Bonds2

About 5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-oxazole-4-carbaldehyde

5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-oxazole-4-carbaldehyde (PubChem CID 82128256) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-oxazole-4-carbaldehyde
PubChem CID82128256
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-oxazole-4-carbaldehyde
SMILESCc1noc(-c2ccc3c(c2)CCC3)c1C=O
InChIInChI=1S/C14H13NO2/c1-9-13(8-16)14(17-15-9)12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3
InChIKeyHXLPSYCOHQQYLU-UHFFFAOYSA-N
XLogP2.95
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbaldehyde
CID 82128384
3-methyl-5-(4-propylphenyl)-1,2-oxazole-4-carbaldehyde
CID 82128389
4-(2,3-dihydro-1H-inden-5-yl)benzaldehyde
CID 54910359
5-(4-methylphenyl)-2,3-dihydro-1H-indene
CID 59217485
3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole
CID 116868892
1-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858813
1-phenylethyl N-[5-[4-(2,3-dihydro-1H-inden-5-yl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamate
CID 159784936
5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 55184374
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 86997801
methyl 2-[13-[4-(dihydroxymethyl)-3-methyl-1,2-oxazol-5-yl]-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]acetate
CID 123950809
5-(2,5-dimethoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde
CID 82130831
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-3-carbaldehyde
CID 42580054

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-oxazole-4-carbaldehyde (CID 82128256) is 5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-oxazole-4-carbaldehyde is Cc1noc(-c2ccc3c(c2)CCC3)c1C=O.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-oxazole-4-carbaldehyde?
The InChIKey is HXLPSYCOHQQYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-9-13(8-16)14(17-15-9)12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3.
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-oxazole-4-carbaldehyde?
5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-oxazole-4-carbaldehyde has a molecular weight of 227.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 82128256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).