2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,6-dimethyl-4-pyridinyl)methyl]propan-2-amine

C16H23N3O — CID 146145226

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,6-dimethyl-4-pyridinyl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)(C)c2c(C)noc2C)cc(C)n1
InChIInChI=1S/C16H23N3O/c1-10-7-14(8-11(2)18-10)9-17-16(5,6)15-12(3)19-20-13(15)4/h7-8,17H,9H2,1-6H3
InChIKeyCNTVTOHTUPQCOG-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.33
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,6-dimethyl-4-pyridinyl)methyl]propan-2-amine

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,6-dimethyl-4-pyridinyl)methyl]propan-2-amine (PubChem CID 146145226) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,6-dimethyl-4-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,6-dimethyl-4-pyridinyl)methyl]propan-2-amine
PubChem CID146145226
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,6-dimethyl-4-pyridinyl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)(C)c2c(C)noc2C)cc(C)n1
InChIInChI=1S/C16H23N3O/c1-10-7-14(8-11(2)18-10)9-17-16(5,6)15-12(3)19-20-13(15)4/h7-8,17H,9H2,1-6H3
InChIKeyCNTVTOHTUPQCOG-UHFFFAOYSA-N
XLogP3.33
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,6-dimethyl-4-pyridinyl)methyl]propan-2-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,6-dimethyl-4-pyridinyl)methyl]propan-2-amine (CID 146145226) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,6-dimethyl-4-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,6-dimethyl-4-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,6-dimethyl-4-pyridinyl)methyl]propan-2-amine is Cc1cc(CNC(C)(C)c2c(C)noc2C)cc(C)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,6-dimethyl-4-pyridinyl)methyl]propan-2-amine?
The InChIKey is CNTVTOHTUPQCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10-7-14(8-11(2)18-10)9-17-16(5,6)15-12(3)19-20-13(15)4/h7-8,17H,9H2,1-6H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,6-dimethyl-4-pyridinyl)methyl]propan-2-amine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,6-dimethyl-4-pyridinyl)methyl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,6-dimethyl-4-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 146145226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).