ethane;2-[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetic acid

C17H23NO4 — CID 157375212

IUPACethane;2-[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetic acid
SMILESCC.CCc1oc(C)nc1COc1cccc(CC(=O)O)c1
InChIInChI=1S/C15H17NO4.C2H6/c1-3-14-13(16-10(2)20-14)9-19-12-6-4-5-11(7-12)8-15(17)18;1-2/h4-7H,3,8-9H2,1-2H3,(H,17,18);1-2H3
InChIKeyBKGAXZXPYWQOPP-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.78
Rot. Bonds6

About ethane;2-[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetic acid

ethane;2-[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetic acid (PubChem CID 157375212) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is ethane;2-[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Nameethane;2-[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetic acid
PubChem CID157375212
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nameethane;2-[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetic acid
SMILESCC.CCc1oc(C)nc1COc1cccc(CC(=O)O)c1
InChIInChI=1S/C15H17NO4.C2H6/c1-3-14-13(16-10(2)20-14)9-19-12-6-4-5-11(7-12)8-15(17)18;1-2/h4-7H,3,8-9H2,1-2H3,(H,17,18);1-2H3
InChIKeyBKGAXZXPYWQOPP-UHFFFAOYSA-N
XLogP3.78
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-[[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]methylsulfanyl]acetic acid;methane
CID 158005543
2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883980
2-[3-(bromomethoxy)phenyl]acetic acid
CID 151200250
2-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]acetic acid
CID 61398198
2-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]acetic acid
CID 61398083
2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
CID 61495355
2-(3-trimethylsilyloxyphenyl)acetic acid
CID 167737399
2-[3-(ethoxymethoxy)phenyl]acetic acid
CID 65364927
2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid
CID 105344950
2-[3-chloro-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methylsulfanyl]phenyl]acetic acid
CID 68886942
2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884245
2-[3-[2-(2,5-diethyl-1,3-thiazol-4-yl)ethoxy]phenyl]acetic acid
CID 58859470

Frequently Asked Questions

What is the IUPAC name of ethane;2-[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetic acid?
The IUPAC name of ethane;2-[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetic acid (CID 157375212) is ethane;2-[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetic acid.
What is the SMILES notation for ethane;2-[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetic acid?
The canonical SMILES for ethane;2-[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetic acid is CC.CCc1oc(C)nc1COc1cccc(CC(=O)O)c1.
What is the InChIKey of ethane;2-[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetic acid?
The InChIKey is BKGAXZXPYWQOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4.C2H6/c1-3-14-13(16-10(2)20-14)9-19-12-6-4-5-11(7-12)8-15(17)18;1-2/h4-7H,3,8-9H2,1-2H3,(H,17,18);1-2H3.
What are the key properties of ethane;2-[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetic acid?
ethane;2-[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetic acid has a molecular weight of 305.37 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 157375212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).