2-[1-(aminomethyl)cyclohexyl]-N-(1,2-oxazol-3-ylmethyl)acetamide

C13H21N3O2 — CID 113440200

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESNCC1(CC(=O)NCc2ccon2)CCCCC1
InChIInChI=1S/C13H21N3O2/c14-10-13(5-2-1-3-6-13)8-12(17)15-9-11-4-7-18-16-11/h4,7H,1-3,5-6,8-10,14H2,(H,15,17)
InChIKeyWOSQNTIGICVYTP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.59
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]-N-(1,2-oxazol-3-ylmethyl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(1,2-oxazol-3-ylmethyl)acetamide (PubChem CID 113440200) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(1,2-oxazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(1,2-oxazol-3-ylmethyl)acetamide
PubChem CID113440200
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESNCC1(CC(=O)NCc2ccon2)CCCCC1
InChIInChI=1S/C13H21N3O2/c14-10-13(5-2-1-3-6-13)8-12(17)15-9-11-4-7-18-16-11/h4,7H,1-3,5-6,8-10,14H2,(H,15,17)
InChIKeyWOSQNTIGICVYTP-UHFFFAOYSA-N
XLogP1.59
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(1,2-oxazol-3-ylmethyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(1,2-oxazol-3-ylmethyl)acetamide (CID 113440200) is 2-[1-(aminomethyl)cyclohexyl]-N-(1,2-oxazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(1,2-oxazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(1,2-oxazol-3-ylmethyl)acetamide is NCC1(CC(=O)NCc2ccon2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(1,2-oxazol-3-ylmethyl)acetamide?
The InChIKey is WOSQNTIGICVYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-10-13(5-2-1-3-6-13)8-12(17)15-9-11-4-7-18-16-11/h4,7H,1-3,5-6,8-10,14H2,(H,15,17).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(1,2-oxazol-3-ylmethyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(1,2-oxazol-3-ylmethyl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(1,2-oxazol-3-ylmethyl)acetamide is sourced from PubChem (CID 113440200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).