5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazole-4-carbaldehyde

C14H15NO3 — CID 146351688

IUPAC5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazole-4-carbaldehyde
SMILESCc1oc(C(C)OCc2ccccc2)nc1C=O
InChIInChI=1S/C14H15NO3/c1-10-13(8-16)15-14(18-10)11(2)17-9-12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3
InChIKeyQBZIDJGOKDUHIG-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.07
Rot. Bonds5

About 5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazole-4-carbaldehyde

5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazole-4-carbaldehyde (PubChem CID 146351688) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazole-4-carbaldehyde
PubChem CID146351688
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazole-4-carbaldehyde
SMILESCc1oc(C(C)OCc2ccccc2)nc1C=O
InChIInChI=1S/C14H15NO3/c1-10-13(8-16)15-14(18-10)11(2)17-9-12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3
InChIKeyQBZIDJGOKDUHIG-UHFFFAOYSA-N
XLogP3.07
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.07
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

N-[5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazol-4-yl]-N-sulfanylformamide
CID 174992991
2-methoxy-2-phenylmethoxyacetaldehyde
CID 87601586
1-[5-(1-phenylmethoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853454
3-phenylmethoxypentanedial
CID 154678181
1-methyl-4-(1-phenylmethoxyethyl)benzene
CID 135034119
(E)-4-phenylmethoxypent-2-enal
CID 59042461
4-hydroxy-2-phenylmethoxypentanal
CID 150721664
methanol;3-phenylmethoxybutanal
CID 170758415
(2S,4S)-2-methyl-4-phenylmethoxypentanal
CID 10632107
(2S,3S)-3-methyl-2-phenylmethoxypentanal
CID 86607759
diethyl 3-phenylmethoxypentanedioate
CID 73212048
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazole-4-carbaldehyde?
The IUPAC name of 5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazole-4-carbaldehyde (CID 146351688) is 5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazole-4-carbaldehyde?
The canonical SMILES for 5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazole-4-carbaldehyde is Cc1oc(C(C)OCc2ccccc2)nc1C=O.
What is the InChIKey of 5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazole-4-carbaldehyde?
The InChIKey is QBZIDJGOKDUHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10-13(8-16)15-14(18-10)11(2)17-9-12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3.
What are the key properties of 5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazole-4-carbaldehyde?
5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazole-4-carbaldehyde has a molecular weight of 245.28 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazole-4-carbaldehyde is sourced from PubChem (CID 146351688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).