N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine

C13H22N2O — CID 51081840

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine
SMILESCCN(Cc1c(C)noc1C)C1CCCC1
InChIInChI=1S/C13H22N2O/c1-4-15(12-7-5-6-8-12)9-13-10(2)14-16-11(13)3/h12H,4-9H2,1-3H3
InChIKeyKRYHEVBJJNRYOS-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.06
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine (PubChem CID 51081840) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine
PubChem CID51081840
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine
SMILESCCN(Cc1c(C)noc1C)C1CCCC1
InChIInChI=1S/C13H22N2O/c1-4-15(12-7-5-6-8-12)9-13-10(2)14-16-11(13)3/h12H,4-9H2,1-3H3
InChIKeyKRYHEVBJJNRYOS-UHFFFAOYSA-N
XLogP3.06
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylacetamide
CID 52551442
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 75460721
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine
CID 47025097
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(2-methylcyclohexyl)amino]propanoic acid
CID 82329686
4-[[cyclohexyl(ethyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine
CID 55046155
1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine
CID 91835412
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylazetidin-3-amine
CID 66186598
1-(2-cyclohexylpyrimidin-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine
CID 77092811
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-ethylamino]acetic acid
CID 61011467
3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol
CID 110919062
2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 75461539
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 75414997

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine (CID 51081840) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine is CCN(Cc1c(C)noc1C)C1CCCC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine?
The InChIKey is KRYHEVBJJNRYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-15(12-7-5-6-8-12)9-13-10(2)14-16-11(13)3/h12H,4-9H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine has a molecular weight of 222.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine is sourced from PubChem (CID 51081840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).