2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide

C12H15N3O2 — CID 115260031

IUPAC2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide
SMILESCc1nc2cc(CN(C)CC(N)=O)ccc2o1
InChIInChI=1S/C12H15N3O2/c1-8-14-10-5-9(3-4-11(10)17-8)6-15(2)7-12(13)16/h3-5H,6-7H2,1-2H3,(H2,13,16)
InChIKeyJQGOQBZFRIHPDG-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.05
Rot. Bonds4

About 2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide

2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide (PubChem CID 115260031) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide
PubChem CID115260031
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide
SMILESCc1nc2cc(CN(C)CC(N)=O)ccc2o1
InChIInChI=1S/C12H15N3O2/c1-8-14-10-5-9(3-4-11(10)17-8)6-15(2)7-12(13)16/h3-5H,6-7H2,1-2H3,(H2,13,16)
InChIKeyJQGOQBZFRIHPDG-UHFFFAOYSA-N
XLogP1.05
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid
CID 115171032
4-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butanoic acid
CID 115218677
N',2,2-trimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,3-diamine
CID 115200125
[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol
CID 115229195
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
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
3-[methyl-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]amino]propanoic acid
CID 112519384
2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide
CID 116849128
N-methyl-3-(methylamino)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propanamide
CID 115153302
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

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide?
The IUPAC name of 2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide (CID 115260031) is 2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide?
The canonical SMILES for 2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide is Cc1nc2cc(CN(C)CC(N)=O)ccc2o1.
What is the InChIKey of 2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide?
The InChIKey is JQGOQBZFRIHPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-14-10-5-9(3-4-11(10)17-8)6-15(2)7-12(13)16/h3-5H,6-7H2,1-2H3,(H2,13,16).
What are the key properties of 2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide?
2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide has a molecular weight of 233.27 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide is sourced from PubChem (CID 115260031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).