4-(3-methyl-1,2-oxazole-4-carbonyl)-1H-pyrrole-2-carbaldehyde

C10H8N2O3 — CID 82396748

IUPAC4-(3-methyl-1,2-oxazole-4-carbonyl)-1H-pyrrole-2-carbaldehyde
SMILESCc1nocc1C(=O)c1c[nH]c(C=O)c1
InChIInChI=1S/C10H8N2O3/c1-6-9(5-15-12-6)10(14)7-2-8(4-13)11-3-7/h2-5,11H,1H3
InChIKeyVJEPDOPGFBFLTR-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.35
Rot. Bonds3

About 4-(3-methyl-1,2-oxazole-4-carbonyl)-1H-pyrrole-2-carbaldehyde

4-(3-methyl-1,2-oxazole-4-carbonyl)-1H-pyrrole-2-carbaldehyde (PubChem CID 82396748) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-(3-methyl-1,2-oxazole-4-carbonyl)-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name4-(3-methyl-1,2-oxazole-4-carbonyl)-1H-pyrrole-2-carbaldehyde
PubChem CID82396748
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name4-(3-methyl-1,2-oxazole-4-carbonyl)-1H-pyrrole-2-carbaldehyde
SMILESCc1nocc1C(=O)c1c[nH]c(C=O)c1
InChIInChI=1S/C10H8N2O3/c1-6-9(5-15-12-6)10(14)7-2-8(4-13)11-3-7/h2-5,11H,1H3
InChIKeyVJEPDOPGFBFLTR-UHFFFAOYSA-N
XLogP1.35
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methyl-1H-pyrazole-3-carbonyl)-1H-pyrrole-2-carbaldehyde
CID 82396958
4-(4-hydroxybenzoyl)-1H-pyrrole-2-carbaldehyde
CID 84723705
4-(1,3-thiazole-4-carbonyl)-1H-pyrrole-2-carbaldehyde
CID 82396036
4-(3-chlorobenzoyl)-1H-pyrrole-2-carbaldehyde
CID 82389894
4-(4-nitrobenzoyl)-1H-pyrrole-2-carbaldehyde
CID 42597018
methyl 3-methyl-1,2-oxazole-4-carboxylate
CID 5249569
4-[3-(dimethylamino)propanoyl]-1H-pyrrole-2-carbaldehyde
CID 82401238
N-methoxy-N,3-dimethyl-1,2-oxazole-4-carboxamide
CID 45099364
N-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857256
N-(2,4-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857168
4-iodo-1H-pyrrole-2-carbaldehyde
CID 4671953
4-(3-oxoprop-1-enyl)-1H-pyrrole-2-carbaldehyde
CID 169458688

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2-oxazole-4-carbonyl)-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 4-(3-methyl-1,2-oxazole-4-carbonyl)-1H-pyrrole-2-carbaldehyde (CID 82396748) is 4-(3-methyl-1,2-oxazole-4-carbonyl)-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 4-(3-methyl-1,2-oxazole-4-carbonyl)-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 4-(3-methyl-1,2-oxazole-4-carbonyl)-1H-pyrrole-2-carbaldehyde is Cc1nocc1C(=O)c1c[nH]c(C=O)c1.
What is the InChIKey of 4-(3-methyl-1,2-oxazole-4-carbonyl)-1H-pyrrole-2-carbaldehyde?
The InChIKey is VJEPDOPGFBFLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-6-9(5-15-12-6)10(14)7-2-8(4-13)11-3-7/h2-5,11H,1H3.
What are the key properties of 4-(3-methyl-1,2-oxazole-4-carbonyl)-1H-pyrrole-2-carbaldehyde?
4-(3-methyl-1,2-oxazole-4-carbonyl)-1H-pyrrole-2-carbaldehyde has a molecular weight of 204.19 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2-oxazole-4-carbonyl)-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 82396748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).