methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid

C11H12N2O3 — CID 115171032

IUPACmethyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid
SMILESCc1nc2cc(CN(C)C(=O)O)ccc2o1
InChIInChI=1S/C11H12N2O3/c1-7-12-9-5-8(3-4-10(9)16-7)6-13(2)11(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyGGQWJHPSZDYLIH-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.25
Rot. Bonds2

About methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid

methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid (PubChem CID 115171032) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid
PubChem CID115171032
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid
SMILESCc1nc2cc(CN(C)C(=O)O)ccc2o1
InChIInChI=1S/C11H12N2O3/c1-7-12-9-5-8(3-4-10(9)16-7)6-13(2)11(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyGGQWJHPSZDYLIH-UHFFFAOYSA-N
XLogP2.25
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]-2-oxoacetate
CID 115142497
4-hydroxy-N-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butanamide
CID 115163065
N-methyl-3-(methylamino)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propanamide
CID 115153302
N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide
CID 110387920
4-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butanoic acid
CID 115218677
2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide
CID 115260031
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
N-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115191348
N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 115191188
3-[methyl-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]amino]propanoic acid
CID 112519384
2-[methyl-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]amino]propanoic acid
CID 117042052
2,2-difluoro-3-(2-methyl-1,3-benzoxazol-5-yl)propanoic acid
CID 116838289

Frequently Asked Questions

What is the IUPAC name of methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid?
The IUPAC name of methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid (CID 115171032) is methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid.
What is the SMILES notation for methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid?
The canonical SMILES for methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid is Cc1nc2cc(CN(C)C(=O)O)ccc2o1.
What is the InChIKey of methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid?
The InChIKey is GGQWJHPSZDYLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7-12-9-5-8(3-4-10(9)16-7)6-13(2)11(14)15/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid?
methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid has a molecular weight of 220.23 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid is sourced from PubChem (CID 115171032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).