N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine

C13H22N2O — CID 115722279

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine
SMILESCc1noc(C)c1CC(C)NC1CCCC1
InChIInChI=1S/C13H22N2O/c1-9(14-12-6-4-5-7-12)8-13-10(2)15-16-11(13)3/h9,12,14H,4-8H2,1-3H3
InChIKeyTZGAZGDRWHQPSM-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.75
Rot. Bonds4

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

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine (PubChem CID 115722279) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine
PubChem CID115722279
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine
SMILESCc1noc(C)c1CC(C)NC1CCCC1
InChIInChI=1S/C13H22N2O/c1-9(14-12-6-4-5-7-12)8-13-10(2)15-16-11(13)3/h9,12,14H,4-8H2,1-3H3
InChIKeyTZGAZGDRWHQPSM-UHFFFAOYSA-N
XLogP2.75
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine (CID 115722279) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine is Cc1noc(C)c1CC(C)NC1CCCC1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine?
The InChIKey is TZGAZGDRWHQPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(14-12-6-4-5-7-12)8-13-10(2)15-16-11(13)3/h9,12,14H,4-8H2,1-3H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine has a molecular weight of 222.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine is sourced from PubChem (CID 115722279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).