[4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol

C15H17NO4 — CID 59594761

IUPAC[4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol
SMILESCOCc1nc(/C=C/c2ccc(OC)cc2)oc1CO
InChIInChI=1S/C15H17NO4/c1-18-10-13-14(9-17)20-15(16-13)8-5-11-3-6-12(19-2)7-4-11/h3-8,17H,9-10H2,1-2H3/b8-5+
InChIKeyAWBKETLVPRRFPA-VMPITWQZSA-N
MW275.30 g/mol
LogP2.49
Rot. Bonds6

About [4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol

[4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol (PubChem CID 59594761) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol
PubChem CID59594761
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name[4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol
SMILESCOCc1nc(/C=C/c2ccc(OC)cc2)oc1CO
InChIInChI=1S/C15H17NO4/c1-18-10-13-14(9-17)20-15(16-13)8-5-11-3-6-12(19-2)7-4-11/h3-8,17H,9-10H2,1-2H3/b8-5+
InChIKeyAWBKETLVPRRFPA-VMPITWQZSA-N
XLogP2.49
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(chloromethyl)-4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole;methane;[4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol
CID 159858636
[2-[2-(4-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol
CID 54141260
5-[[4-(methoxymethyl)-2-[2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methoxy]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzonitrile
CID 136646662
5-[[4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methoxy]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzonitrile
CID 135962679
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
5-[2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazole-2-thione
CID 141479180
1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 21449166
(2E,4E)-5-(4-methoxyphenyl)penta-2,4-dien-1-ol
CID 2253109
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
3-hydroxy-6-(hydroxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-4-one
CID 170558154
2-[2-(4-methoxyphenyl)ethenyl]-1,3-benzoxazin-4-one
CID 3122852
[2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol
CID 13282931

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol?
The IUPAC name of [4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol (CID 59594761) is [4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol.
What is the SMILES notation for [4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol?
The canonical SMILES for [4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol is COCc1nc(/C=C/c2ccc(OC)cc2)oc1CO.
What is the InChIKey of [4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol?
The InChIKey is AWBKETLVPRRFPA-VMPITWQZSA-N. The full InChI is InChI=1S/C15H17NO4/c1-18-10-13-14(9-17)20-15(16-13)8-5-11-3-6-12(19-2)7-4-11/h3-8,17H,9-10H2,1-2H3/b8-5+.
What are the key properties of [4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol?
[4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol has a molecular weight of 275.30 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol is sourced from PubChem (CID 59594761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).