methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate

C12H14N2O3 — CID 115232907

IUPACmethyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate
SMILESCOC(=O)CNCc1ccc2oc(C)nc2c1
InChIInChI=1S/C12H14N2O3/c1-8-14-10-5-9(3-4-11(10)17-8)6-13-7-12(15)16-2/h3-5,13H,6-7H2,1-2H3
InChIKeyAHVOFWCORHXYRW-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.40
Rot. Bonds4

About methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate

methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate (PubChem CID 115232907) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate
PubChem CID115232907
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate
SMILESCOC(=O)CNCc1ccc2oc(C)nc2c1
InChIInChI=1S/C12H14N2O3/c1-8-14-10-5-9(3-4-11(10)17-8)6-13-7-12(15)16-2/h3-5,13H,6-7H2,1-2H3
InChIKeyAHVOFWCORHXYRW-UHFFFAOYSA-N
XLogP1.40
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,2-diamine
CID 115135941
3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]butanoic acid
CID 115219951
N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine
CID 115195341
2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]ethanethiol
CID 115224002
1-[[(2-methyl-1,3-benzoxazol-5-yl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242952
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390584
2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol
CID 115133411
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
3-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propanenitrile
CID 115230914
3-methyl-1-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butane-1,3-diamine
CID 115200643
5-bromo-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]furan-2-carboxamide
CID 110794899
methyl 2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]-2-oxoacetate
CID 115142497

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate?
The IUPAC name of methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate (CID 115232907) is methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate?
The canonical SMILES for methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate is COC(=O)CNCc1ccc2oc(C)nc2c1.
What is the InChIKey of methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate?
The InChIKey is AHVOFWCORHXYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8-14-10-5-9(3-4-11(10)17-8)6-13-7-12(15)16-2/h3-5,13H,6-7H2,1-2H3.
What are the key properties of methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate?
methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate has a molecular weight of 234.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate is sourced from PubChem (CID 115232907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).