N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine

C13H21N3O — CID 106414949

IUPACN-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
SMILESc1cc(CNC2CCCC2C2CCCN2)on1
InChIInChI=1S/C13H21N3O/c1-3-11(12-5-2-7-14-12)13(4-1)15-9-10-6-8-16-17-10/h6,8,11-15H,1-5,7,9H2
InChIKeyAXSQULYIYQXSRC-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.68
Rot. Bonds4

About N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine

N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine (PubChem CID 106414949) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
PubChem CID106414949
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
SMILESc1cc(CNC2CCCC2C2CCCN2)on1
InChIInChI=1S/C13H21N3O/c1-3-11(12-5-2-7-14-12)13(4-1)15-9-10-6-8-16-17-10/h6,8,11-15H,1-5,7,9H2
InChIKeyAXSQULYIYQXSRC-UHFFFAOYSA-N
XLogP1.68
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-oxazol-5-ylmethyl)cyclooctanamine
CID 103604816
N-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 103616141
N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 104934265
N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 106415094
N-(5-isoxazolylmethyl)-N-methyl-3-azaspiro[5.5]undecan-9-amine dihydrochloride
CID 56702505
7-Methyl-1-(1,2-oxazol-5-ylmethyl)-2lambda6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
CID 148549246
N-methyl-N-(1,2-oxazol-5-ylmethyl)piperidin-4-amine
CID 43607721
5-[(3-Pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole
CID 54885669
1,2-Oxazol-5-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 54885901
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 55259121
N-(1,2-oxazol-5-ylmethyl)cyclohexanamine
CID 60683537
N-(1,2-oxazol-5-ylmethyl)cyclopentanamine
CID 60687089

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine (CID 106414949) is N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine is c1cc(CNC2CCCC2C2CCCN2)on1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine?
The InChIKey is AXSQULYIYQXSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-11(12-5-2-7-14-12)13(4-1)15-9-10-6-8-16-17-10/h6,8,11-15H,1-5,7,9H2.
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine?
N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine is sourced from PubChem (CID 106414949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).