2-[4-chloro-2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]phenoxy]acetic acid

C15H17ClN2O4 — CID 77096724

IUPAC2-[4-chloro-2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]phenoxy]acetic acid
SMILESCc1cc(CN(C)Cc2cc(Cl)ccc2OCC(=O)O)on1
InChIInChI=1S/C15H17ClN2O4/c1-10-5-13(22-17-10)8-18(2)7-11-6-12(16)3-4-14(11)21-9-15(19)20/h3-6H,7-9H2,1-2H3,(H,19,20)
InChIKeyGXPLBURHDGOTQE-UHFFFAOYSA-N
MW324.76 g/mol
LogP2.73
Rot. Bonds7

About 2-[4-chloro-2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]phenoxy]acetic acid

2-[4-chloro-2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]phenoxy]acetic acid (PubChem CID 77096724) has the molecular formula C15H17ClN2O4 and a molecular weight of 324.76 g/mol. Its IUPAC name is 2-[4-chloro-2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]phenoxy]acetic acid
PubChem CID77096724
Molecular FormulaC15H17ClN2O4
Molecular Weight324.76 g/mol
Exact Mass324.09
IUPAC Name2-[4-chloro-2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]phenoxy]acetic acid
SMILESCc1cc(CN(C)Cc2cc(Cl)ccc2OCC(=O)O)on1
InChIInChI=1S/C15H17ClN2O4/c1-10-5-13(22-17-10)8-18(2)7-11-6-12(16)3-4-14(11)21-9-15(19)20/h3-6H,7-9H2,1-2H3,(H,19,20)
InChIKeyGXPLBURHDGOTQE-UHFFFAOYSA-N
XLogP2.73
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-2-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]acetic acid
CID 77080664
1-(2-methoxyphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 171130117
2-[4-chloro-2-[[2-(dimethylamino)ethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]methyl]phenoxy]acetic acid
CID 135087478
N'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686290
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]acetic acid
CID 102535929
2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-4-phenylphenol
CID 42330263
2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid
CID 69118840
2-(4-chloro-2-tetradecylphenoxy)acetic acid;hydrochloride
CID 70523873
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
methyl 5-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 35115828
2-[4-chloro-2-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 77096165

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-chloro-2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]phenoxy]acetic acid (CID 77096724) is 2-[4-chloro-2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-chloro-2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]phenoxy]acetic acid is Cc1cc(CN(C)Cc2cc(Cl)ccc2OCC(=O)O)on1.
What is the InChIKey of 2-[4-chloro-2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]phenoxy]acetic acid?
The InChIKey is GXPLBURHDGOTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4/c1-10-5-13(22-17-10)8-18(2)7-11-6-12(16)3-4-14(11)21-9-15(19)20/h3-6H,7-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-chloro-2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]phenoxy]acetic acid?
2-[4-chloro-2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]phenoxy]acetic acid has a molecular weight of 324.76 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 77096724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).