(5-methyl-1,2-oxazol-3-yl)methyl 3-(ethoxycarbonylamino)benzoate

C15H16N2O5 — CID 17418197

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 3-(ethoxycarbonylamino)benzoate
SMILESCCOC(=O)Nc1cccc(C(=O)OCc2cc(C)on2)c1
InChIInChI=1S/C15H16N2O5/c1-3-20-15(19)16-12-6-4-5-11(8-12)14(18)21-9-13-7-10(2)22-17-13/h4-8H,3,9H2,1-2H3,(H,16,19)
InChIKeyPWPYJXVPACXOJV-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.91
Rot. Bonds5

About (5-methyl-1,2-oxazol-3-yl)methyl 3-(ethoxycarbonylamino)benzoate

(5-methyl-1,2-oxazol-3-yl)methyl 3-(ethoxycarbonylamino)benzoate (PubChem CID 17418197) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 3-(ethoxycarbonylamino)benzoate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 3-(ethoxycarbonylamino)benzoate
PubChem CID17418197
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 3-(ethoxycarbonylamino)benzoate
SMILESCCOC(=O)Nc1cccc(C(=O)OCc2cc(C)on2)c1
InChIInChI=1S/C15H16N2O5/c1-3-20-15(19)16-12-6-4-5-11(8-12)14(18)21-9-13-7-10(2)22-17-13/h4-8H,3,9H2,1-2H3,(H,16,19)
InChIKeyPWPYJXVPACXOJV-UHFFFAOYSA-N
XLogP2.91
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)methyl 3-(benzenesulfonamido)benzoate
CID 8015603
methyl 3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]benzoate
CID 110424177
ethyl 3-[[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]amino]benzoate
CID 34068599
(5-methyl-1,2-oxazol-3-yl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8951854
(5-methyl-1,2-oxazol-3-yl)methyl 3-(dimethylsulfamoyl)benzoate
CID 8865947
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate
CID 8741850
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl 3-acetamidobenzoate
CID 700589
(4-methoxycarbonylphenyl) 3-(ethoxycarbonylamino)benzoate
CID 26689674
(3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidobenzoate
CID 18099607
(5-methyl-1,2-oxazol-3-yl)methyl 3-fluoro-4-methylbenzoate
CID 52515134
propyl 3-(butoxycarbonylamino)benzoate
CID 19172785

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 3-(ethoxycarbonylamino)benzoate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 3-(ethoxycarbonylamino)benzoate (CID 17418197) is (5-methyl-1,2-oxazol-3-yl)methyl 3-(ethoxycarbonylamino)benzoate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 3-(ethoxycarbonylamino)benzoate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 3-(ethoxycarbonylamino)benzoate is CCOC(=O)Nc1cccc(C(=O)OCc2cc(C)on2)c1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 3-(ethoxycarbonylamino)benzoate?
The InChIKey is PWPYJXVPACXOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-3-20-15(19)16-12-6-4-5-11(8-12)14(18)21-9-13-7-10(2)22-17-13/h4-8H,3,9H2,1-2H3,(H,16,19).
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 3-(ethoxycarbonylamino)benzoate?
(5-methyl-1,2-oxazol-3-yl)methyl 3-(ethoxycarbonylamino)benzoate has a molecular weight of 304.30 g/mol, XLogP of 2.91, 5 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 3-(ethoxycarbonylamino)benzoate is sourced from PubChem (CID 17418197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).