1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone

C14H15NO4 — CID 66156413

IUPAC1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone
SMILESCOCc1cc(COc2ccc(C(C)=O)cc2)no1
InChIInChI=1S/C14H15NO4/c1-10(16)11-3-5-13(6-4-11)18-8-12-7-14(9-17-2)19-15-12/h3-7H,8-9H2,1-2H3
InChIKeySDAGAEQEEIEMHZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.60
Rot. Bonds6

About 1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone

1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone (PubChem CID 66156413) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone
PubChem CID66156413
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone
SMILESCOCc1cc(COc2ccc(C(C)=O)cc2)no1
InChIInChI=1S/C14H15NO4/c1-10(16)11-3-5-13(6-4-11)18-8-12-7-14(9-17-2)19-15-12/h3-7H,8-9H2,1-2H3
InChIKeySDAGAEQEEIEMHZ-UHFFFAOYSA-N
XLogP2.60
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone with MolForge

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Related Compounds

2-chloro-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzoic acid
CID 106500538
1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylethanamine
CID 66157222
N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine
CID 66157018
2-[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]ethanamine
CID 79800694
1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone
CID 28782365
4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid
CID 66156033
3-(1H-indol-5-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole
CID 80643447
5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684852
[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-phenylmethanone
CID 9137989
5-[(4-acetylphenoxy)methyl]-N-(2-hydroxyethyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 56744931
O-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]hydroxylamine
CID 79427575
N-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79783252

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone (CID 66156413) is 1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone is COCc1cc(COc2ccc(C(C)=O)cc2)no1.
What is the InChIKey of 1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone?
The InChIKey is SDAGAEQEEIEMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-10(16)11-3-5-13(6-4-11)18-8-12-7-14(9-17-2)19-15-12/h3-7H,8-9H2,1-2H3.
What are the key properties of 1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone?
1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone has a molecular weight of 261.28 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone is sourced from PubChem (CID 66156413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).