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

C12H14N2O4 — CID 115257335

IUPACethyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate
SMILESCCOC(=O)CN(C)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C12H14N2O4/c1-3-17-11(15)7-14(2)8-4-5-10-9(6-8)13-12(16)18-10/h4-6H,3,7H2,1-2H3,(H,13,16)
InChIKeyMCMOVDWTVPHTFU-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.12
Rot. Bonds4

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

ethyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate (PubChem CID 115257335) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is ethyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate
PubChem CID115257335
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Nameethyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate
SMILESCCOC(=O)CN(C)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C12H14N2O4/c1-3-17-11(15)7-14(2)8-4-5-10-9(6-8)13-12(16)18-10/h4-6H,3,7H2,1-2H3,(H,13,16)
InChIKeyMCMOVDWTVPHTFU-UHFFFAOYSA-N
XLogP1.12
TPSA75.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate
CID 115232824
5-[2-aminopropyl(methyl)amino]-3H-1,3-benzoxazol-2-one
CID 115196445
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-[2,3-diaminopropyl(methyl)amino]-3H-1,3-benzoxazol-2-one
CID 115119595
5-[(3-amino-1,2-oxazol-5-yl)methyl-methylamino]-3H-1,3-benzoxazol-2-one
CID 117038920
ethyl 2-(4-bromo-N-methylanilino)acetate
CID 102265686
2-amino-3-[methyl-(2-oxo-3H-1,3-benzoxazol-6-yl)amino]propanoic acid
CID 115240611
methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)cyanamide
CID 117043254
ethyl 2-(4-cyano-N,3-dimethylanilino)acetate
CID 81275854
2-oxo-3H-1,3-benzoxazole-5-carbohydrazide
CID 116843327
ethyl 2-(4-hydroxysulfanyl-N-methylanilino)acetate
CID 143002965

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate (CID 115257335) is ethyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate is CCOC(=O)CN(C)c1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of ethyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate?
The InChIKey is MCMOVDWTVPHTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-3-17-11(15)7-14(2)8-4-5-10-9(6-8)13-12(16)18-10/h4-6H,3,7H2,1-2H3,(H,13,16).
What are the key properties of ethyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate?
ethyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate has a molecular weight of 250.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate is sourced from PubChem (CID 115257335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).