(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)propan-1-amine

C14H19N3O — CID 97240274

IUPAC(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCc1noc(C)c1[C@@H](C)CNCc1ccccn1
InChIInChI=1S/C14H19N3O/c1-10(14-11(2)17-18-12(14)3)8-15-9-13-6-4-5-7-16-13/h4-7,10,15H,8-9H2,1-3H3/t10-/m0/s1
InChIKeyONEQAOOKUWFPQZ-JTQLQIEISA-N
MW245.33 g/mol
LogP2.58
Rot. Bonds5

About (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)propan-1-amine

(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)propan-1-amine (PubChem CID 97240274) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
PubChem CID97240274
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCc1noc(C)c1[C@@H](C)CNCc1ccccn1
InChIInChI=1S/C14H19N3O/c1-10(14-11(2)17-18-12(14)3)8-15-9-13-6-4-5-7-16-13/h4-7,10,15H,8-9H2,1-3H3/t10-/m0/s1
InChIKeyONEQAOOKUWFPQZ-JTQLQIEISA-N
XLogP2.58
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
The IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)propan-1-amine (CID 97240274) is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
The canonical SMILES for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)propan-1-amine is Cc1noc(C)c1[C@@H](C)CNCc1ccccn1.
What is the InChIKey of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
The InChIKey is ONEQAOOKUWFPQZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(14-11(2)17-18-12(14)3)8-15-9-13-6-4-5-7-16-13/h4-7,10,15H,8-9H2,1-3H3/t10-/m0/s1.
What are the key properties of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 97240274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).