2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C13H21N3O3 — CID 86825120

IUPAC2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)CC2CCCCO2)on1
InChIInChI=1S/C13H21N3O3/c1-10-7-13(19-15-10)14-12(17)9-16(2)8-11-5-3-4-6-18-11/h7,11H,3-6,8-9H2,1-2H3,(H,14,17)
InChIKeyUEUBAMXTXHMCPT-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.42
Rot. Bonds5

About 2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 86825120) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID86825120
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)CC2CCCCO2)on1
InChIInChI=1S/C13H21N3O3/c1-10-7-13(19-15-10)14-12(17)9-16(2)8-11-5-3-4-6-18-11/h7,11H,3-6,8-9H2,1-2H3,(H,14,17)
InChIKeyUEUBAMXTXHMCPT-UHFFFAOYSA-N
XLogP1.42
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclohexyl(methyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154358
N-(3-methyl-1,2-oxazol-5-yl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 18154491
N-(2-bromo-4-methylphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825232
N-(2-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825215
N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
CID 9223762
N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825234
N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
CID 61431738
N-(3-methyl-1,2-oxazol-5-yl)-2-[piperidin-2-ylmethyl(propan-2-yl)amino]acetamide
CID 106632002
N-(3-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 78722797
N-(2,4-dimethoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825214
N-(2-amino-4,6-dichlorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
CID 61431452
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methyl-1,2-oxazol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 97258269

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 86825120) is 2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CN(C)CC2CCCCO2)on1.
What is the InChIKey of 2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is UEUBAMXTXHMCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10-7-13(19-15-10)14-12(17)9-16(2)8-11-5-3-4-6-18-11/h7,11H,3-6,8-9H2,1-2H3,(H,14,17).
What are the key properties of 2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 86825120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).