N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide

C12H14N2O2 — CID 115191188

IUPACN-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
SMILESCC(=O)N(C)Cc1ccc2nc(C)oc2c1
InChIInChI=1S/C12H14N2O2/c1-8-13-11-5-4-10(6-12(11)16-8)7-14(3)9(2)15/h4-6H,7H2,1-3H3
InChIKeySBWVHMYZBXJVQT-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.11
Rot. Bonds2

About N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide

N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide (PubChem CID 115191188) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
PubChem CID115191188
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
SMILESCC(=O)N(C)Cc1ccc2nc(C)oc2c1
InChIInChI=1S/C12H14N2O2/c1-8-13-11-5-4-10(6-12(11)16-8)7-14(3)9(2)15/h4-6H,7H2,1-3H3
InChIKeySBWVHMYZBXJVQT-UHFFFAOYSA-N
XLogP2.11
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol
CID 115229195
4-[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]butan-1-ol
CID 115217706
methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid
CID 115171032
1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one
CID 115235191
N-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115191348
N-ethyl-N'-methyl-N'-[(2-methyl-1,3-benzoxazol-6-yl)methyl]ethane-1,2-diamine
CID 115205939
2-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]acetic acid
CID 82383516
2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 116850890
4-[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]butanenitrile
CID 115231847
methyl 2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]-2-oxoacetate
CID 115142497
1,1,1-trifluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one
CID 167601007
2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide
CID 115260031

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide (CID 115191188) is N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide is CC(=O)N(C)Cc1ccc2nc(C)oc2c1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide?
The InChIKey is SBWVHMYZBXJVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-13-11-5-4-10(6-12(11)16-8)7-14(3)9(2)15/h4-6H,7H2,1-3H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide?
N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide has a molecular weight of 218.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide is sourced from PubChem (CID 115191188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).