3-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1,2-oxazol-5-amine

C15H19N3O2 — CID 80525003

IUPAC3-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(CCC2CCCCO2)c1-c1ccncc1
InChIInChI=1S/C15H19N3O2/c16-15-14(11-6-8-17-9-7-11)13(18-20-15)5-4-12-3-1-2-10-19-12/h6-9,12H,1-5,10,16H2
InChIKeyLEMRIOXSXLUTDV-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.82
Rot. Bonds4

About 3-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1,2-oxazol-5-amine

3-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1,2-oxazol-5-amine (PubChem CID 80525003) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1,2-oxazol-5-amine
PubChem CID80525003
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(CCC2CCCCO2)c1-c1ccncc1
InChIInChI=1S/C15H19N3O2/c16-15-14(11-6-8-17-9-7-11)13(18-20-15)5-4-12-3-1-2-10-19-12/h6-9,12H,1-5,10,16H2
InChIKeyLEMRIOXSXLUTDV-UHFFFAOYSA-N
XLogP2.82
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methylphenyl)-3-[2-(oxan-2-yl)ethyl]-1,2-oxazol-5-amine
CID 63950754
5-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524502
3-(cyclopentylmethyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 80524956
4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine
CID 43560862
5-(oxolan-2-yl)-1-pyridin-4-ylpentan-2-amine
CID 65164603
1-methyl-3-[2-(oxan-2-yl)ethyl]-4-thiophen-2-ylpyrazol-5-amine
CID 63951751
3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61263124
4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine
CID 164952017
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110614302
4-[4-(oxolan-2-yl)butyl]pyridin-2-amine
CID 65165457
4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine
CID 80525022

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1,2-oxazol-5-amine (CID 80525003) is 3-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1,2-oxazol-5-amine is Nc1onc(CCC2CCCCO2)c1-c1ccncc1.
What is the InChIKey of 3-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1,2-oxazol-5-amine?
The InChIKey is LEMRIOXSXLUTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-15-14(11-6-8-17-9-7-11)13(18-20-15)5-4-12-3-1-2-10-19-12/h6-9,12H,1-5,10,16H2.
What are the key properties of 3-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1,2-oxazol-5-amine?
3-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1,2-oxazol-5-amine has a molecular weight of 273.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 80525003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).