2-[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetaldehyde

C12H11NO3 — CID 115087128

IUPAC2-[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetaldehyde
SMILESCOc1cccc(-c2ncc(CC=O)o2)c1
InChIInChI=1S/C12H11NO3/c1-15-10-4-2-3-9(7-10)12-13-8-11(16-12)5-6-14/h2-4,6-8H,5H2,1H3
InChIKeyAFLJIWAMQTVLLF-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.09
Rot. Bonds4

About 2-[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetaldehyde

2-[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetaldehyde (PubChem CID 115087128) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetaldehyde
PubChem CID115087128
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetaldehyde
SMILESCOc1cccc(-c2ncc(CC=O)o2)c1
InChIInChI=1S/C12H11NO3/c1-15-10-4-2-3-9(7-10)12-13-8-11(16-12)5-6-14/h2-4,6-8H,5H2,1H3
InChIKeyAFLJIWAMQTVLLF-UHFFFAOYSA-N
XLogP2.09
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.09
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

2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115079231
2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,3-oxazole
CID 58157224
methyl (E,2R)-2-hydroxy-2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate
CID 122373659
ethyl 2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]amino]-2-oxoacetate
CID 13172203
5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole
CID 102463231
2-(3-methoxyphenyl)-1,3-oxazole-4-carbaldehyde
CID 53407351
2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054364
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide
CID 168652805
5-(3-methoxyphenyl)-2-methyl-1,3-oxazole
CID 67394978
2-(3-methoxyphenoxy)acetaldehyde
CID 15692237
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetaldehyde?
The IUPAC name of 2-[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetaldehyde (CID 115087128) is 2-[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetaldehyde is COc1cccc(-c2ncc(CC=O)o2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetaldehyde?
The InChIKey is AFLJIWAMQTVLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-15-10-4-2-3-9(7-10)12-13-8-11(16-12)5-6-14/h2-4,6-8H,5H2,1H3.
What are the key properties of 2-[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetaldehyde?
2-[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetaldehyde has a molecular weight of 217.22 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetaldehyde is sourced from PubChem (CID 115087128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).