3-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid

C15H15NO5 — CID 117467164

IUPAC3-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCC1(COc2cccc(-c3cc(C(=O)O)on3)c2)COC1
InChIInChI=1S/C15H15NO5/c1-15(7-19-8-15)9-20-11-4-2-3-10(5-11)12-6-13(14(17)18)21-16-12/h2-6H,7-9H2,1H3,(H,17,18)
InChIKeyHXAHSPQOQSWJPS-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.46
Rot. Bonds5

About 3-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid

3-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 117467164) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID117467164
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name3-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCC1(COc2cccc(-c3cc(C(=O)O)on3)c2)COC1
InChIInChI=1S/C15H15NO5/c1-15(7-19-8-15)9-20-11-4-2-3-10(5-11)12-6-13(14(17)18)21-16-12/h2-6H,7-9H2,1H3,(H,17,18)
InChIKeyHXAHSPQOQSWJPS-UHFFFAOYSA-N
XLogP2.46
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazole-3-carboxylic acid
CID 117487067
3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112565
3-[3-(1-methoxycyclopropyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112561
3-[3-(2-hydroxypropan-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112539
3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115527352
3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117364843
N-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]pyridine-3-carboxamide
CID 165130586
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 46473887
3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117461860
3-[(3-fluorophenoxy)methyl]-1,2-oxazole-5-carboxylic acid
CID 117215650
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,2-oxazole-5-carboxylic acid
CID 117489516
3-[3-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxylic acid
CID 117477482

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid (CID 117467164) is 3-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid is CC1(COc2cccc(-c3cc(C(=O)O)on3)c2)COC1.
What is the InChIKey of 3-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is HXAHSPQOQSWJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-15(7-19-8-15)9-20-11-4-2-3-10(5-11)12-6-13(14(17)18)21-16-12/h2-6H,7-9H2,1H3,(H,17,18).
What are the key properties of 3-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid?
3-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117467164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).