methyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate

C11H12N2O3 — CID 115232814

IUPACmethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate
SMILESCOC(=O)CN(C)c1ccc2ncoc2c1
InChIInChI=1S/C11H12N2O3/c1-13(6-11(14)15-2)8-3-4-9-10(5-8)16-7-12-9/h3-5,7H,6H2,1-2H3
InChIKeyKSUADIRIBCPMMI-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.44
Rot. Bonds3

About methyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate

methyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate (PubChem CID 115232814) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate
PubChem CID115232814
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate
SMILESCOC(=O)CN(C)c1ccc2ncoc2c1
InChIInChI=1S/C11H12N2O3/c1-13(6-11(14)15-2)8-3-4-9-10(5-8)16-7-12-9/h3-5,7H,6H2,1-2H3
InChIKeyKSUADIRIBCPMMI-UHFFFAOYSA-N
XLogP1.44
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(1,3-benzoxazol-6-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 115206397
N-(3-chloropropyl)-N-methyl-1,3-benzoxazol-6-amine
CID 115215548
methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate
CID 115232740
N'-(1,3-benzoxazol-6-yl)-N'-methylbutane-1,4-diamine
CID 115201146
3-[1,3-benzoxazol-6-yl(methyl)amino]-3-methylbutanoic acid
CID 117042368
methyl 4-(1,3-benzoxazol-6-ylamino)-4-oxobutanoate
CID 110728836
ethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate
CID 115128756
4-amino-1-[1,3-benzoxazol-6-yl(methyl)amino]butan-2-ol
CID 117039134
methyl 2-[1,3-benzoxazol-6-ylmethyl(methyl)amino]-2-oxoacetate
CID 115142491
N-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine
CID 115207431
1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea
CID 115169274
4-[1,3-benzoxazol-6-yl(methyl)amino]-2-methyl-4-oxobutanoic acid
CID 115165031

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate?
The IUPAC name of methyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate (CID 115232814) is methyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate.
What is the SMILES notation for methyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate?
The canonical SMILES for methyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate is COC(=O)CN(C)c1ccc2ncoc2c1.
What is the InChIKey of methyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate?
The InChIKey is KSUADIRIBCPMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-13(6-11(14)15-2)8-3-4-9-10(5-8)16-7-12-9/h3-5,7H,6H2,1-2H3.
What are the key properties of methyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate?
methyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate has a molecular weight of 220.23 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate is sourced from PubChem (CID 115232814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).