1-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]piperidin-4-amine

C15H19N3O — CID 54864429

IUPAC1-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]piperidin-4-amine
SMILESCN1CCC(Nc2ccc(-c3cnco3)cc2)CC1
InChIInChI=1S/C15H19N3O/c1-18-8-6-14(7-9-18)17-13-4-2-12(3-5-13)15-10-16-11-19-15/h2-5,10-11,14,17H,6-9H2,1H3
InChIKeyQITSTMCJLMJSTE-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.85
Rot. Bonds3

About 1-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]piperidin-4-amine

1-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]piperidin-4-amine (PubChem CID 54864429) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]piperidin-4-amine
PubChem CID54864429
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]piperidin-4-amine
SMILESCN1CCC(Nc2ccc(-c3cnco3)cc2)CC1
InChIInChI=1S/C15H19N3O/c1-18-8-6-14(7-9-18)17-13-4-2-12(3-5-13)15-10-16-11-19-15/h2-5,10-11,14,17H,6-9H2,1H3
InChIKeyQITSTMCJLMJSTE-UHFFFAOYSA-N
XLogP2.85
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]piperidin-4-amine (CID 54864429) is 1-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]piperidin-4-amine is CN1CCC(Nc2ccc(-c3cnco3)cc2)CC1.
What is the InChIKey of 1-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]piperidin-4-amine?
The InChIKey is QITSTMCJLMJSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-8-6-14(7-9-18)17-13-4-2-12(3-5-13)15-10-16-11-19-15/h2-5,10-11,14,17H,6-9H2,1H3.
What are the key properties of 1-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]piperidin-4-amine?
1-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]piperidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 54864429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).