2-(1-methylcyclopentyl)-1,3-oxazole-4-carbaldehyde

C10H13NO2 — CID 115015383

IUPAC2-(1-methylcyclopentyl)-1,3-oxazole-4-carbaldehyde
SMILESCC1(c2nc(C=O)co2)CCCC1
InChIInChI=1S/C10H13NO2/c1-10(4-2-3-5-10)9-11-8(6-12)7-13-9/h6-7H,2-5H2,1H3
InChIKeyQMYCRDFCMJQSJH-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.32
Rot. Bonds2

About 2-(1-methylcyclopentyl)-1,3-oxazole-4-carbaldehyde

2-(1-methylcyclopentyl)-1,3-oxazole-4-carbaldehyde (PubChem CID 115015383) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(1-methylcyclopentyl)-1,3-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(1-methylcyclopentyl)-1,3-oxazole-4-carbaldehyde
PubChem CID115015383
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-(1-methylcyclopentyl)-1,3-oxazole-4-carbaldehyde
SMILESCC1(c2nc(C=O)co2)CCCC1
InChIInChI=1S/C10H13NO2/c1-10(4-2-3-5-10)9-11-8(6-12)7-13-9/h6-7H,2-5H2,1H3
InChIKeyQMYCRDFCMJQSJH-UHFFFAOYSA-N
XLogP2.32
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-methylcyclopentyl)-1,3-oxazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methyl-1,1-dioxothian-4-yl)-1,3-oxazole-4-carbaldehyde
CID 115044989
2-methyl-1,3-oxazole-4-carbaldehyde
CID 11073372
2-(1-methylcyclobutyl)-1,3-thiazole-4-carbaldehyde
CID 115015990
2-(3-methylazepan-3-yl)-1,3-oxazole-4-carboxylic acid
CID 142212198
2-ethyl-1,3-oxazole-4-carbaldehyde
CID 83478668
2-propan-2-yl-1,3-oxazole-4-carbaldehyde
CID 51072215
2-cyclopropyl-1,3-oxazole-4-carbaldehyde
CID 83478954
2-(3-methyl-1,1-dioxothian-3-yl)-1,3-thiazole-4-carbaldehyde
CID 115048524
2-(3-methylthiolan-3-yl)-1,3-oxazole-4-carboxylic acid
CID 115028323
4,5-dimethyl-2-(1-methylcyclohexyl)-1,3-oxazole
CID 141167685
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 106828746
2-[2-(3-methylthiolan-3-yl)-1,3-oxazol-4-yl]acetic acid
CID 115036185

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclopentyl)-1,3-oxazole-4-carbaldehyde?
The IUPAC name of 2-(1-methylcyclopentyl)-1,3-oxazole-4-carbaldehyde (CID 115015383) is 2-(1-methylcyclopentyl)-1,3-oxazole-4-carbaldehyde.
What is the SMILES notation for 2-(1-methylcyclopentyl)-1,3-oxazole-4-carbaldehyde?
The canonical SMILES for 2-(1-methylcyclopentyl)-1,3-oxazole-4-carbaldehyde is CC1(c2nc(C=O)co2)CCCC1.
What is the InChIKey of 2-(1-methylcyclopentyl)-1,3-oxazole-4-carbaldehyde?
The InChIKey is QMYCRDFCMJQSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-10(4-2-3-5-10)9-11-8(6-12)7-13-9/h6-7H,2-5H2,1H3.
What are the key properties of 2-(1-methylcyclopentyl)-1,3-oxazole-4-carbaldehyde?
2-(1-methylcyclopentyl)-1,3-oxazole-4-carbaldehyde has a molecular weight of 179.22 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopentyl)-1,3-oxazole-4-carbaldehyde is sourced from PubChem (CID 115015383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).