4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethylbenzaldehyde

C15H17NO3 — CID 28825712

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethylbenzaldehyde
SMILESCc1cc(C=O)cc(C)c1OCc1c(C)noc1C
InChIInChI=1S/C15H17NO3/c1-9-5-13(7-17)6-10(2)15(9)18-8-14-11(3)16-19-12(14)4/h5-7H,8H2,1-4H3
InChIKeyFZPLKRRTMKSPDF-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.30
Rot. Bonds4

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethylbenzaldehyde

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethylbenzaldehyde (PubChem CID 28825712) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethylbenzaldehyde
PubChem CID28825712
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethylbenzaldehyde
SMILESCc1cc(C=O)cc(C)c1OCc1c(C)noc1C
InChIInChI=1S/C15H17NO3/c1-9-5-13(7-17)6-10(2)15(9)18-8-14-11(3)16-19-12(14)4/h5-7H,8H2,1-4H3
InChIKeyFZPLKRRTMKSPDF-UHFFFAOYSA-N
XLogP3.30
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.30
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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethoxybenzaldehyde
CID 43516639
3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde
CID 55025741
3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde
CID 43516003
3,5-dimethyl-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde
CID 28838332
3,5-dichloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771268
(E)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]prop-2-enoic acid
CID 115957207
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
(Z)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid
CID 97305645
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methylbenzoic acid
CID 82165950
3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2-oxazole
CID 71971325
(Z)-3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid
CID 97301415
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine
CID 112614814

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethylbenzaldehyde?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethylbenzaldehyde (CID 28825712) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethylbenzaldehyde.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethylbenzaldehyde?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethylbenzaldehyde is Cc1cc(C=O)cc(C)c1OCc1c(C)noc1C.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethylbenzaldehyde?
The InChIKey is FZPLKRRTMKSPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9-5-13(7-17)6-10(2)15(9)18-8-14-11(3)16-19-12(14)4/h5-7H,8H2,1-4H3.
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethylbenzaldehyde?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethylbenzaldehyde has a molecular weight of 259.30 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethylbenzaldehyde is sourced from PubChem (CID 28825712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).