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

C12H13NO3 — CID 115093702

IUPAC[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]methanol
SMILESCOc1cccc(Cc2oncc2CO)c1
InChIInChI=1S/C12H13NO3/c1-15-11-4-2-3-9(5-11)6-12-10(8-14)7-13-16-12/h2-5,7,14H,6,8H2,1H3
InChIKeyYUUDZZVHUZIFIR-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.77
Rot. Bonds4

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

[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]methanol (PubChem CID 115093702) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is [5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]methanol
PubChem CID115093702
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]methanol
SMILESCOc1cccc(Cc2oncc2CO)c1
InChIInChI=1S/C12H13NO3/c1-15-11-4-2-3-9(5-11)6-12-10(8-14)7-13-16-12/h2-5,7,14H,6,8H2,1H3
InChIKeyYUUDZZVHUZIFIR-UHFFFAOYSA-N
XLogP1.77
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethanone
CID 115093716
N'-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethane-1,2-diamine
CID 117210053
(3-methoxyphenyl)(113C)methanol
CID 11593446
[2-[(3-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]methanol
CID 114204972
5-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 114204923
[2-[(3-methoxyphenyl)methyl]phenyl]-trimethylsilane
CID 171716633
[4-[(3-methoxyphenyl)methoxy]-6-methyl-3-pyridinyl]methanol
CID 81237760
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 61272827
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346314
methoxymethane;(3-methoxyphenyl)methanol;prop-1-ene
CID 91163567
2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
CID 173405518

Frequently Asked Questions

What is the IUPAC name of [5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]methanol (CID 115093702) is [5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]methanol is COc1cccc(Cc2oncc2CO)c1.
What is the InChIKey of [5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]methanol?
The InChIKey is YUUDZZVHUZIFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-15-11-4-2-3-9(5-11)6-12-10(8-14)7-13-16-12/h2-5,7,14H,6,8H2,1H3.
What are the key properties of [5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]methanol?
[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]methanol has a molecular weight of 219.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 115093702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).