(3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine

C16H23N5O — CID 95350046

IUPAC(3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
SMILESCc1nc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)oc1C
InChIInChI=1S/C16H23N5O/c1-12-13(2)22-16(18-12)11-20(3)14-6-5-9-21(10-14)15-7-4-8-17-19-15/h4,7-8,14H,5-6,9-11H2,1-3H3/t14-/m1/s1
InChIKeyFJXKDUAGJGLCRE-CQSZACIVSA-N
MW301.39 g/mol
LogP2.18
Rot. Bonds4

About (3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine

(3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 95350046) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID95350046
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
SMILESCc1nc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)oc1C
InChIInChI=1S/C16H23N5O/c1-12-13(2)22-16(18-12)11-20(3)14-6-5-9-21(10-14)15-7-4-8-17-19-15/h4,7-8,14H,5-6,9-11H2,1-3H3/t14-/m1/s1
InChIKeyFJXKDUAGJGLCRE-CQSZACIVSA-N
XLogP2.18
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of (3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine (CID 95350046) is (3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for (3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine is Cc1nc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)oc1C.
What is the InChIKey of (3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is FJXKDUAGJGLCRE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12-13(2)22-16(18-12)11-20(3)14-6-5-9-21(10-14)15-7-4-8-17-19-15/h4,7-8,14H,5-6,9-11H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine?
(3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 301.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 95350046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).