5-(2-cyclopentylethyl)-4-pyridin-4-yl-1,2-oxazol-3-amine

C15H19N3O — CID 80525669

IUPAC5-(2-cyclopentylethyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
SMILESNc1noc(CCC2CCCC2)c1-c1ccncc1
InChIInChI=1S/C15H19N3O/c16-15-14(12-7-9-17-10-8-12)13(19-18-15)6-5-11-3-1-2-4-11/h7-11H,1-6H2,(H2,16,18)
InChIKeyVCVNTTLBPNZMAM-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.44
Rot. Bonds4

About 5-(2-cyclopentylethyl)-4-pyridin-4-yl-1,2-oxazol-3-amine

5-(2-cyclopentylethyl)-4-pyridin-4-yl-1,2-oxazol-3-amine (PubChem CID 80525669) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-(2-cyclopentylethyl)-4-pyridin-4-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-cyclopentylethyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
PubChem CID80525669
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-(2-cyclopentylethyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
SMILESNc1noc(CCC2CCCC2)c1-c1ccncc1
InChIInChI=1S/C15H19N3O/c16-15-14(12-7-9-17-10-8-12)13(19-18-15)6-5-11-3-1-2-4-11/h7-11H,1-6H2,(H2,16,18)
InChIKeyVCVNTTLBPNZMAM-UHFFFAOYSA-N
XLogP3.44
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylethyl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-cyclopentylethyl)-4-pyridin-4-yl-1,2-oxazol-3-amine (CID 80525669) is 5-(2-cyclopentylethyl)-4-pyridin-4-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-cyclopentylethyl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-cyclopentylethyl)-4-pyridin-4-yl-1,2-oxazol-3-amine is Nc1noc(CCC2CCCC2)c1-c1ccncc1.
What is the InChIKey of 5-(2-cyclopentylethyl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The InChIKey is VCVNTTLBPNZMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-15-14(12-7-9-17-10-8-12)13(19-18-15)6-5-11-3-1-2-4-11/h7-11H,1-6H2,(H2,16,18).
What are the key properties of 5-(2-cyclopentylethyl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
5-(2-cyclopentylethyl)-4-pyridin-4-yl-1,2-oxazol-3-amine has a molecular weight of 257.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylethyl)-4-pyridin-4-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 80525669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).