methyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate

C11H12N2O4 — CID 115232824

IUPACmethyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate
SMILESCOC(=O)CN(C)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C11H12N2O4/c1-13(6-10(14)16-2)7-3-4-9-8(5-7)12-11(15)17-9/h3-5H,6H2,1-2H3,(H,12,15)
InChIKeyQHZAKULVASUWSM-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.73
Rot. Bonds3

About methyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate

methyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate (PubChem CID 115232824) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is methyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate
PubChem CID115232824
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Namemethyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate
SMILESCOC(=O)CN(C)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C11H12N2O4/c1-13(6-10(14)16-2)7-3-4-9-8(5-7)12-11(15)17-9/h3-5H,6H2,1-2H3,(H,12,15)
InChIKeyQHZAKULVASUWSM-UHFFFAOYSA-N
XLogP0.73
TPSA75.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate
CID 115257335
N-methyl-3-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 115176328
5-[2-chloroethyl(methyl)amino]-3H-1,3-benzoxazol-2-one
CID 115214763
5-[2-aminopropyl(methyl)amino]-3H-1,3-benzoxazol-2-one
CID 115196445
5-[2,3-diaminopropyl(methyl)amino]-3H-1,3-benzoxazol-2-one
CID 115119595
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)cyanamide
CID 117043254
methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate
CID 115232740
5-[(3-amino-1,2-oxazol-5-yl)methyl-methylamino]-3H-1,3-benzoxazol-2-one
CID 117038920
2-oxo-3H-1,3-benzoxazole-5-carbohydrazide
CID 116843327
methyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate
CID 115232814
2-amino-3-[methyl-(2-oxo-3H-1,3-benzoxazol-6-yl)amino]propanoic acid
CID 115240611

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate (CID 115232824) is methyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate is COC(=O)CN(C)c1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of methyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate?
The InChIKey is QHZAKULVASUWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-13(6-10(14)16-2)7-3-4-9-8(5-7)12-11(15)17-9/h3-5H,6H2,1-2H3,(H,12,15).
What are the key properties of methyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate?
methyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate has a molecular weight of 236.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate is sourced from PubChem (CID 115232824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).