N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine

C16H21N3O — CID 63643903

IUPACN-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
SMILESCN(Cc1coc(-c2ccccc2)n1)C1CCCNC1
InChIInChI=1S/C16H21N3O/c1-19(15-8-5-9-17-10-15)11-14-12-20-16(18-14)13-6-3-2-4-7-13/h2-4,6-7,12,15,17H,5,8-11H2,1H3
InChIKeyKTSAQHJRTQDWDE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.53
Rot. Bonds4

About N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine

N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine (PubChem CID 63643903) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
PubChem CID63643903
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
SMILESCN(Cc1coc(-c2ccccc2)n1)C1CCCNC1
InChIInChI=1S/C16H21N3O/c1-19(15-8-5-9-17-10-15)11-14-12-20-16(18-14)13-6-3-2-4-7-13/h2-4,6-7,12,15,17H,5,8-11H2,1H3
InChIKeyKTSAQHJRTQDWDE-UHFFFAOYSA-N
XLogP2.53
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine (CID 63643903) is N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine is CN(Cc1coc(-c2ccccc2)n1)C1CCCNC1.
What is the InChIKey of N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is KTSAQHJRTQDWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(15-8-5-9-17-10-15)11-14-12-20-16(18-14)13-6-3-2-4-7-13/h2-4,6-7,12,15,17H,5,8-11H2,1H3.
What are the key properties of N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine?
N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 271.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 63643903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).