N-[2-(dimethylamino)ethyl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide

C15H21N3O2 — CID 108792103

IUPACN-[2-(dimethylamino)ethyl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc2onc(CC(=O)NCCN(C)C)c2cc1C
InChIInChI=1S/C15H21N3O2/c1-10-7-12-13(17-20-14(12)8-11(10)2)9-15(19)16-5-6-18(3)4/h7-8H,5-6,9H2,1-4H3,(H,16,19)
InChIKeyAYYRQSLLQUSKAE-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.66
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide

N-[2-(dimethylamino)ethyl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 108792103) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID108792103
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc2onc(CC(=O)NCCN(C)C)c2cc1C
InChIInChI=1S/C15H21N3O2/c1-10-7-12-13(17-20-14(12)8-11(10)2)9-15(19)16-5-6-18(3)4/h7-8H,5-6,9H2,1-4H3,(H,16,19)
InChIKeyAYYRQSLLQUSKAE-UHFFFAOYSA-N
XLogP1.66
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 108792020
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 108792033
N-[3-(dimethylamino)propyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794339
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2,6-dimethylphenyl)acetamide
CID 108792145
N-cyclopentyl-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108791964
2-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]butanoic acid
CID 108804264
3-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-4-methylbenzoic acid
CID 108804310
methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108804334
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108740199
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 108804388
N-(4-cyano-1-methylpyrazol-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108737075
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108791948

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (CID 108792103) is N-[2-(dimethylamino)ethyl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is Cc1cc2onc(CC(=O)NCCN(C)C)c2cc1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is AYYRQSLLQUSKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-7-12-13(17-20-14(12)8-11(10)2)9-15(19)16-5-6-18(3)4/h7-8H,5-6,9H2,1-4H3,(H,16,19).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
N-[2-(dimethylamino)ethyl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 108792103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).