N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylmethanamine

C12H15N3O — CID 28781512

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCc1noc(C)c1CNCc1cccnc1
InChIInChI=1S/C12H15N3O/c1-9-12(10(2)16-15-9)8-14-7-11-4-3-5-13-6-11/h3-6,14H,7-8H2,1-2H3
InChIKeyJDMLHLAQWDBGKU-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.98
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylmethanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 28781512) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID28781512
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCc1noc(C)c1CNCc1cccnc1
InChIInChI=1S/C12H15N3O/c1-9-12(10(2)16-15-9)8-14-7-11-4-3-5-13-6-11/h3-6,14H,7-8H2,1-2H3
InChIKeyJDMLHLAQWDBGKU-UHFFFAOYSA-N
XLogP1.98
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylmethanamine (CID 28781512) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylmethanamine is Cc1noc(C)c1CNCc1cccnc1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is JDMLHLAQWDBGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-12(10(2)16-15-9)8-14-7-11-4-3-5-13-6-11/h3-6,14H,7-8H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylmethanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 217.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 28781512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).