3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde

C12H10ClNO3 — CID 112611517

IUPAC3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde
SMILESCc1cc(COc2c(Cl)cccc2C=O)on1
InChIInChI=1S/C12H10ClNO3/c1-8-5-10(17-14-8)7-16-12-9(6-15)3-2-4-11(12)13/h2-6H,7H2,1H3
InChIKeyKADCPDVNWPKVQT-UHFFFAOYSA-N
MW251.67 g/mol
LogP3.03
Rot. Bonds4

About 3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde

3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde (PubChem CID 112611517) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde
PubChem CID112611517
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde
SMILESCc1cc(COc2c(Cl)cccc2C=O)on1
InChIInChI=1S/C12H10ClNO3/c1-8-5-10(17-14-8)7-16-12-9(6-15)3-2-4-11(12)13/h2-6H,7H2,1H3
InChIKeyKADCPDVNWPKVQT-UHFFFAOYSA-N
XLogP3.03
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 53.03
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

[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 112607574
2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 112615109
5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 78913723
3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde
CID 112611304
3-chloro-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 112611328
2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylbenzaldehyde
CID 112611123
2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-propoxybenzaldehyde
CID 43388442
3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde
CID 112611220
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-phenylmethanone
CID 162407806
2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 113277121
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631
3-chloro-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde
CID 112611324

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde?
The IUPAC name of 3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde (CID 112611517) is 3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde is Cc1cc(COc2c(Cl)cccc2C=O)on1.
What is the InChIKey of 3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde?
The InChIKey is KADCPDVNWPKVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-8-5-10(17-14-8)7-16-12-9(6-15)3-2-4-11(12)13/h2-6H,7H2,1H3.
What are the key properties of 3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde?
3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde has a molecular weight of 251.67 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde is sourced from PubChem (CID 112611517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).