1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propan-2-one

C14H15NO3 — CID 115084076

IUPAC1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propan-2-one
SMILESCOc1ccc(Cc2nc(CC(C)=O)co2)cc1
InChIInChI=1S/C14H15NO3/c1-10(16)7-12-9-18-14(15-12)8-11-3-5-13(17-2)6-4-11/h3-6,9H,7-8H2,1-2H3
InChIKeyUIJZAEZBOQOKTO-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.41
Rot. Bonds5

About 1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propan-2-one

1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propan-2-one (PubChem CID 115084076) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propan-2-one
PubChem CID115084076
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propan-2-one
SMILESCOc1ccc(Cc2nc(CC(C)=O)co2)cc1
InChIInChI=1S/C14H15NO3/c1-10(16)7-12-9-18-14(15-12)8-11-3-5-13(17-2)6-4-11/h3-6,9H,7-8H2,1-2H3
InChIKeyUIJZAEZBOQOKTO-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115089349
1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115083905
3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084172
1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084104
1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone
CID 141104221
2-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid
CID 115079127
2-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]ethanol
CID 115084055
[4-[[4-[4-[(4-methoxyphenyl)methyl]phenoxy]carbonyloxyphenyl]methyl]phenyl] acetate
CID 158229898
2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 115083847
3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084171
1-(6-methoxynaphthalen-2-yl)propan-2-one;propane
CID 144625735
N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084120

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propan-2-one?
The IUPAC name of 1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propan-2-one (CID 115084076) is 1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propan-2-one.
What is the SMILES notation for 1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propan-2-one?
The canonical SMILES for 1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propan-2-one is COc1ccc(Cc2nc(CC(C)=O)co2)cc1.
What is the InChIKey of 1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propan-2-one?
The InChIKey is UIJZAEZBOQOKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10(16)7-12-9-18-14(15-12)8-11-3-5-13(17-2)6-4-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propan-2-one?
1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propan-2-one has a molecular weight of 245.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propan-2-one is sourced from PubChem (CID 115084076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).