N-[2-(aminomethyl)cyclohexyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H21N3O2 — CID 119609935

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NC2CCCCC2CN)no1
InChIInChI=1S/C13H21N3O2/c1-9-6-11(16-18-9)7-13(17)15-12-5-3-2-4-10(12)8-14/h6,10,12H,2-5,7-8,14H2,1H3,(H,15,17)
InChIKeyYFMBBXJMVXASDZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.16
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

N-[2-(aminomethyl)cyclohexyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 119609935) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID119609935
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NC2CCCCC2CN)no1
InChIInChI=1S/C13H21N3O2/c1-9-6-11(16-18-9)7-13(17)15-12-5-3-2-4-10(12)8-14/h6,10,12H,2-5,7-8,14H2,1H3,(H,15,17)
InChIKeyYFMBBXJMVXASDZ-UHFFFAOYSA-N
XLogP1.16
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 119609935) is N-[2-(aminomethyl)cyclohexyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(CC(=O)NC2CCCCC2CN)no1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is YFMBBXJMVXASDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-6-11(16-18-9)7-13(17)15-12-5-3-2-4-10(12)8-14/h6,10,12H,2-5,7-8,14H2,1H3,(H,15,17).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
N-[2-(aminomethyl)cyclohexyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 119609935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).