(3S)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

C17H25N5O — CID 95337919

IUPAC(3S)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCC(C)(C)c1cnc(CN[C@H]2CCCN(c3cccnn3)C2)o1
InChIInChI=1S/C17H25N5O/c1-17(2,3)14-10-19-16(23-14)11-18-13-6-5-9-22(12-13)15-7-4-8-20-21-15/h4,7-8,10,13,18H,5-6,9,11-12H2,1-3H3/t13-/m0/s1
InChIKeyFQDPFVJQZPAQBE-ZDUSSCGKSA-N
MW315.42 g/mol
LogP2.52
Rot. Bonds4

About (3S)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

(3S)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 95337919) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (3S)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID95337919
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(3S)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCC(C)(C)c1cnc(CN[C@H]2CCCN(c3cccnn3)C2)o1
InChIInChI=1S/C17H25N5O/c1-17(2,3)14-10-19-16(23-14)11-18-13-6-5-9-22(12-13)15-7-4-8-20-21-15/h4,7-8,10,13,18H,5-6,9,11-12H2,1-3H3/t13-/m0/s1
InChIKeyFQDPFVJQZPAQBE-ZDUSSCGKSA-N
XLogP2.52
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of (3S)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 95337919) is (3S)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for (3S)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for (3S)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is CC(C)(C)c1cnc(CN[C@H]2CCCN(c3cccnn3)C2)o1.
What is the InChIKey of (3S)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is FQDPFVJQZPAQBE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N5O/c1-17(2,3)14-10-19-16(23-14)11-18-13-6-5-9-22(12-13)15-7-4-8-20-21-15/h4,7-8,10,13,18H,5-6,9,11-12H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
(3S)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 315.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 95337919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).