methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate

C14H14N2O5 — CID 79489953

IUPACmethyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)c2ocnc2C)c1
InChIInChI=1S/C14H14N2O5/c1-9-13(21-8-15-9)14(18)16-10-4-3-5-11(6-10)20-7-12(17)19-2/h3-6,8H,7H2,1-2H3,(H,16,18)
InChIKeyNVGPQDKUNCKICS-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.79
Rot. Bonds5

About methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate

methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate (PubChem CID 79489953) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate
PubChem CID79489953
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Namemethyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)c2ocnc2C)c1
InChIInChI=1S/C14H14N2O5/c1-9-13(21-8-15-9)14(18)16-10-4-3-5-11(6-10)20-7-12(17)19-2/h3-6,8H,7H2,1-2H3,(H,16,18)
InChIKeyNVGPQDKUNCKICS-UHFFFAOYSA-N
XLogP1.79
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate
CID 61057722
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate
CID 973408
2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid
CID 81456260
2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid
CID 17359941
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate
CID 119713774
2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid
CID 61058593
N-(3-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110685074
methyl 2-[3-[(2-ethoxybenzoyl)amino]phenoxy]acetate
CID 46416869
methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate
CID 1301261
4-methyl-N-(3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide
CID 79487576
methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate
CID 112728907

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate (CID 79489953) is methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate is COC(=O)COc1cccc(NC(=O)c2ocnc2C)c1.
What is the InChIKey of methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate?
The InChIKey is NVGPQDKUNCKICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-9-13(21-8-15-9)14(18)16-10-4-3-5-11(6-10)20-7-12(17)19-2/h3-6,8H,7H2,1-2H3,(H,16,18).
What are the key properties of methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate?
methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate has a molecular weight of 290.28 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate is sourced from PubChem (CID 79489953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).