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

C13H16N2O2 — CID 115191348

IUPACN-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
SMILESCC(=O)N(C)CCc1ccc2oc(C)nc2c1
InChIInChI=1S/C13H16N2O2/c1-9-14-12-8-11(4-5-13(12)17-9)6-7-15(3)10(2)16/h4-5,8H,6-7H2,1-3H3
InChIKeyXCFLJJBCZYMSSA-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.16
Rot. Bonds3

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

N-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide (PubChem CID 115191348) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
PubChem CID115191348
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
SMILESCC(=O)N(C)CCc1ccc2oc(C)nc2c1
InChIInChI=1S/C13H16N2O2/c1-9-14-12-8-11(4-5-13(12)17-9)6-7-15(3)10(2)16/h4-5,8H,6-7H2,1-3H3
InChIKeyXCFLJJBCZYMSSA-UHFFFAOYSA-N
XLogP2.16
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
CID 115259635
methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid
CID 115171032
N-(hydrazinylmethyl)-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
CID 115261332
N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390565
N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 115191188
1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one
CID 115235191
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide
CID 116849128
methyl 2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]-2-oxoacetate
CID 115142497
4-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butanoic acid
CID 115218677

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide?
The IUPAC name of N-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide (CID 115191348) is N-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide?
The canonical SMILES for N-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide is CC(=O)N(C)CCc1ccc2oc(C)nc2c1.
What is the InChIKey of N-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide?
The InChIKey is XCFLJJBCZYMSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-14-12-8-11(4-5-13(12)17-9)6-7-15(3)10(2)16/h4-5,8H,6-7H2,1-3H3.
What are the key properties of N-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide?
N-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide has a molecular weight of 232.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 115191348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).