4-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazol-5-amine

C15H19N3O — CID 117396976

IUPAC4-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazol-5-amine
SMILESCN1CCC(c2ccc(-c3cnoc3N)cc2)CC1
InChIInChI=1S/C15H19N3O/c1-18-8-6-12(7-9-18)11-2-4-13(5-3-11)14-10-17-19-15(14)16/h2-5,10,12H,6-9,16H2,1H3
InChIKeyPNAMJBJPDPICNK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.73
Rot. Bonds2

About 4-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazol-5-amine

4-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117396976) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazol-5-amine
PubChem CID117396976
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazol-5-amine
SMILESCN1CCC(c2ccc(-c3cnoc3N)cc2)CC1
InChIInChI=1S/C15H19N3O/c1-18-8-6-12(7-9-18)11-2-4-13(5-3-11)14-10-17-19-15(14)16/h2-5,10,12H,6-9,16H2,1H3
InChIKeyPNAMJBJPDPICNK-UHFFFAOYSA-N
XLogP2.73
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazol-5-amine (CID 117396976) is 4-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazol-5-amine is CN1CCC(c2ccc(-c3cnoc3N)cc2)CC1.
What is the InChIKey of 4-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is PNAMJBJPDPICNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-8-6-12(7-9-18)11-2-4-13(5-3-11)14-10-17-19-15(14)16/h2-5,10,12H,6-9,16H2,1H3.
What are the key properties of 4-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazol-5-amine?
4-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 257.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117396976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).