1-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]ethanone

C14H15NO3 — CID 102598875

IUPAC1-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]ethanone
SMILESCOc1ccc(Cc2noc(C)c2C(C)=O)cc1
InChIInChI=1S/C14H15NO3/c1-9(16)14-10(2)18-15-13(14)8-11-4-6-12(17-3)7-5-11/h4-7H,8H2,1-3H3
InChIKeyFYUMMYLBVDXPNA-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.79
Rot. Bonds4

About 1-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]ethanone

1-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]ethanone (PubChem CID 102598875) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]ethanone
PubChem CID102598875
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]ethanone
SMILESCOc1ccc(Cc2noc(C)c2C(C)=O)cc1
InChIInChI=1S/C14H15NO3/c1-9(16)14-10(2)18-15-13(14)8-11-4-6-12(17-3)7-5-11/h4-7H,8H2,1-3H3
InChIKeyFYUMMYLBVDXPNA-UHFFFAOYSA-N
XLogP2.79
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63345474
3-[(4-methoxyphenyl)methyl]-1,2-oxazole-4-carboxylic acid
CID 91211734
3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole
CID 91419468
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 16580445
3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 12762723
1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone
CID 141104221
4-[(4-methoxyphenyl)methyl]-1,3-oxazole-5-carboxylic acid
CID 96598289
2-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid
CID 115079127
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 30272063
N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60532703
N,3-diethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4788334
1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 63345344

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]ethanone?
The IUPAC name of 1-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]ethanone (CID 102598875) is 1-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]ethanone is COc1ccc(Cc2noc(C)c2C(C)=O)cc1.
What is the InChIKey of 1-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]ethanone?
The InChIKey is FYUMMYLBVDXPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9(16)14-10(2)18-15-13(14)8-11-4-6-12(17-3)7-5-11/h4-7H,8H2,1-3H3.
What are the key properties of 1-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]ethanone?
1-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]ethanone has a molecular weight of 245.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]ethanone is sourced from PubChem (CID 102598875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).