3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine

C14H17N3O — CID 117360425

IUPAC3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(C3CCNCC3)cc2)no1
InChIInChI=1S/C14H17N3O/c15-14-9-13(17-18-14)12-3-1-10(2-4-12)11-5-7-16-8-6-11/h1-4,9,11,16H,5-8,15H2
InChIKeySIRZHUGTOBXCFZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.39
Rot. Bonds2

About 3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine

3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine (PubChem CID 117360425) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine
PubChem CID117360425
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(C3CCNCC3)cc2)no1
InChIInChI=1S/C14H17N3O/c15-14-9-13(17-18-14)12-3-1-10(2-4-12)11-5-7-16-8-6-11/h1-4,9,11,16H,5-8,15H2
InChIKeySIRZHUGTOBXCFZ-UHFFFAOYSA-N
XLogP2.39
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-methylcyclohexyl)phenyl]-1,2-oxazol-5-amine
CID 117394468
3-[4-(thietan-3-yl)phenyl]-1,2-oxazol-5-amine
CID 117336607
3-(4-fluorophenyl)-5-piperidin-4-yl-1,2-oxazole
CID 170765884
4-(4-piperidin-4-ylphenyl)aniline
CID 116988069
3-phenyl-5-piperidin-4-yl-1,2-oxazole
CID 59732015
3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117399583
3-(3-cycloheptylphenyl)-1,2-oxazol-5-amine
CID 117394464
4-(4-piperidin-4-ylphenyl)-1H-pyrazol-5-amine
CID 117358172
4-[4-[4-(4-phenylphenyl)phenyl]phenyl]piperidine
CID 146643621
5-(3-piperidin-4-ylphenyl)-1,2-oxazol-3-amine
CID 117360352
[4-(4-piperidin-4-ylphenyl)phenyl]methanamine
CID 116988072
4-[4-(2H-tetrazol-5-yl)phenyl]piperidine
CID 84792848

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine (CID 117360425) is 3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine is Nc1cc(-c2ccc(C3CCNCC3)cc2)no1.
What is the InChIKey of 3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine?
The InChIKey is SIRZHUGTOBXCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-14-9-13(17-18-14)12-3-1-10(2-4-12)11-5-7-16-8-6-11/h1-4,9,11,16H,5-8,15H2.
What are the key properties of 3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine?
3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine has a molecular weight of 243.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117360425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).