3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-1,2-oxazole-5-carboxylic acid

C15H15NO4 — CID 115112565

IUPAC3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCOC1(Cc2cccc(-c3cc(C(=O)O)on3)c2)CC1
InChIInChI=1S/C15H15NO4/c1-19-15(5-6-15)9-10-3-2-4-11(7-10)12-8-13(14(17)18)20-16-12/h2-4,7-8H,5-6,9H2,1H3,(H,17,18)
InChIKeyWMZZIDNUWIBOOL-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.76
Rot. Bonds5

About 3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-1,2-oxazole-5-carboxylic acid

3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 115112565) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID115112565
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCOC1(Cc2cccc(-c3cc(C(=O)O)on3)c2)CC1
InChIInChI=1S/C15H15NO4/c1-19-15(5-6-15)9-10-3-2-4-11(7-10)12-8-13(14(17)18)20-16-12/h2-4,7-8H,5-6,9H2,1H3,(H,17,18)
InChIKeyWMZZIDNUWIBOOL-UHFFFAOYSA-N
XLogP2.76
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(1-methoxycyclopropyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112561
2-[3-[(1-methoxycyclopropyl)methyl]phenyl]acetic acid
CID 117111536
3-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid
CID 117467164
3-[3-(2-hydroxypropan-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112539
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]cyclobutane-1-carboxylic acid
CID 117114251
3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115527352
3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117364843
3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117337507
3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117461860
3-(3-iodo-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 67517083
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-[(1-methoxycyclopropyl)methyl]phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-1,2-oxazole-5-carboxylic acid (CID 115112565) is 3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-1,2-oxazole-5-carboxylic acid is COC1(Cc2cccc(-c3cc(C(=O)O)on3)c2)CC1.
What is the InChIKey of 3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is WMZZIDNUWIBOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-19-15(5-6-15)9-10-3-2-4-11(7-10)12-8-13(14(17)18)20-16-12/h2-4,7-8H,5-6,9H2,1H3,(H,17,18).
What are the key properties of 3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-1,2-oxazole-5-carboxylic acid?
3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 115112565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).