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

C15H15N3OS — CID 80522730

IUPAC4-pyridin-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine
SMILESNc1noc(CCCc2cccs2)c1-c1ccccn1
InChIInChI=1S/C15H15N3OS/c16-15-14(12-7-1-2-9-17-12)13(19-18-15)8-3-5-11-6-4-10-20-11/h1-2,4,6-7,9-10H,3,5,8H2,(H2,16,18)
InChIKeyLDDWEBGLTNOHAN-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.56
Rot. Bonds5

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

4-pyridin-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine (PubChem CID 80522730) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-pyridin-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-pyridin-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine
PubChem CID80522730
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-pyridin-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine
SMILESNc1noc(CCCc2cccs2)c1-c1ccccn1
InChIInChI=1S/C15H15N3OS/c16-15-14(12-7-1-2-9-17-12)13(19-18-15)8-3-5-11-6-4-10-20-11/h1-2,4,6-7,9-10H,3,5,8H2,(H2,16,18)
InChIKeyLDDWEBGLTNOHAN-UHFFFAOYSA-N
XLogP3.56
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-pyridin-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine (CID 80522730) is 4-pyridin-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-pyridin-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-pyridin-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine is Nc1noc(CCCc2cccs2)c1-c1ccccn1.
What is the InChIKey of 4-pyridin-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine?
The InChIKey is LDDWEBGLTNOHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c16-15-14(12-7-1-2-9-17-12)13(19-18-15)8-3-5-11-6-4-10-20-11/h1-2,4,6-7,9-10H,3,5,8H2,(H2,16,18).
What are the key properties of 4-pyridin-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine?
4-pyridin-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine has a molecular weight of 285.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 80522730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).