5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazole-4-carbaldehyde

C20H17NO2 — CID 141297227

IUPAC5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazole-4-carbaldehyde
SMILESCc1noc(-c2ccc(-c3ccc(C4CC4)cc3)cc2)c1C=O
InChIInChI=1S/C20H17NO2/c1-13-19(12-22)20(23-21-13)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-2-3-14/h4-12,14H,2-3H2,1H3
InChIKeyHZMUSUGXYKJQJP-UHFFFAOYSA-N
MW303.36 g/mol
LogP5.01
Rot. Bonds4

About 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazole-4-carbaldehyde

5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazole-4-carbaldehyde (PubChem CID 141297227) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazole-4-carbaldehyde
PubChem CID141297227
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazole-4-carbaldehyde
SMILESCc1noc(-c2ccc(-c3ccc(C4CC4)cc3)cc2)c1C=O
InChIInChI=1S/C20H17NO2/c1-13-19(12-22)20(23-21-13)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-2-3-14/h4-12,14H,2-3H2,1H3
InChIKeyHZMUSUGXYKJQJP-UHFFFAOYSA-N
XLogP5.01
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.36
LogP ≤ 55.01
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

5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-4-(oxiran-2-yl)-1,2-oxazole
CID 141295945
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
N-[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]-3-methylbutanamide
CID 141296062
5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-oxazole-4-carbaldehyde
CID 82128256
5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-4-(2-phenylethylsulfonylmethyl)-1,2-oxazole
CID 141296044
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-(6-pyrazol-1-yl-2-pyridinyl)-1,2-oxazol-4-amine
CID 122636327
N-(2-benzylcyclohexyl)-5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-amine;carbonic acid
CID 122636310
(4S)-4-benzyl-3-[[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]methyl]-1,3-oxazolidin-2-one;carbonic acid
CID 122636280
5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,2-oxazol-4-amine
CID 122636262

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazole-4-carbaldehyde (CID 141297227) is 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazole-4-carbaldehyde is Cc1noc(-c2ccc(-c3ccc(C4CC4)cc3)cc2)c1C=O.
What is the InChIKey of 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazole-4-carbaldehyde?
The InChIKey is HZMUSUGXYKJQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-13-19(12-22)20(23-21-13)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-2-3-14/h4-12,14H,2-3H2,1H3.
What are the key properties of 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazole-4-carbaldehyde?
5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazole-4-carbaldehyde has a molecular weight of 303.36 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 141297227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).