(5-methyl-1,2-oxazol-3-yl)methyl 4-(2-amino-2-oxoethoxy)benzoate

C14H14N2O5 — CID 8679063

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 4-(2-amino-2-oxoethoxy)benzoate
SMILESCc1cc(COC(=O)c2ccc(OCC(N)=O)cc2)no1
InChIInChI=1S/C14H14N2O5/c1-9-6-11(16-21-9)7-20-14(18)10-2-4-12(5-3-10)19-8-13(15)17/h2-6H,7-8H2,1H3,(H2,15,17)
InChIKeyCIGBOUGWTMOIJD-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.20
Rot. Bonds6

About (5-methyl-1,2-oxazol-3-yl)methyl 4-(2-amino-2-oxoethoxy)benzoate

(5-methyl-1,2-oxazol-3-yl)methyl 4-(2-amino-2-oxoethoxy)benzoate (PubChem CID 8679063) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 4-(2-amino-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 4-(2-amino-2-oxoethoxy)benzoate
PubChem CID8679063
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 4-(2-amino-2-oxoethoxy)benzoate
SMILESCc1cc(COC(=O)c2ccc(OCC(N)=O)cc2)no1
InChIInChI=1S/C14H14N2O5/c1-9-6-11(16-21-9)7-20-14(18)10-2-4-12(5-3-10)19-8-13(15)17/h2-6H,7-8H2,1H3,(H2,15,17)
InChIKeyCIGBOUGWTMOIJD-UHFFFAOYSA-N
XLogP1.20
TPSA104.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate
CID 8872522
(5-methyl-1,2-oxazol-3-yl)methyl 3-fluoro-4-methylbenzoate
CID 52515134
(5-methyl-1,2-oxazol-3-yl)methyl 5,6-dichloropyridine-3-carboxylate
CID 8873138
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8679224
(5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 8937003
[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-phenylmethanone
CID 9137989
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678802
(3,4-dichlorophenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 18092678
(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate
CID 8945252
(5-methyl-1,2-oxazol-3-yl)methyl 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 9061168
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678876
(5-methyl-1,2-oxazol-3-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 28572250

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 4-(2-amino-2-oxoethoxy)benzoate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 4-(2-amino-2-oxoethoxy)benzoate (CID 8679063) is (5-methyl-1,2-oxazol-3-yl)methyl 4-(2-amino-2-oxoethoxy)benzoate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 4-(2-amino-2-oxoethoxy)benzoate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 4-(2-amino-2-oxoethoxy)benzoate is Cc1cc(COC(=O)c2ccc(OCC(N)=O)cc2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 4-(2-amino-2-oxoethoxy)benzoate?
The InChIKey is CIGBOUGWTMOIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-9-6-11(16-21-9)7-20-14(18)10-2-4-12(5-3-10)19-8-13(15)17/h2-6H,7-8H2,1H3,(H2,15,17).
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 4-(2-amino-2-oxoethoxy)benzoate?
(5-methyl-1,2-oxazol-3-yl)methyl 4-(2-amino-2-oxoethoxy)benzoate has a molecular weight of 290.28 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl 4-(2-amino-2-oxoethoxy)benzoate is sourced from PubChem (CID 8679063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).