N-[1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyridazin-3-amine

C17H25N5O — CID 138030371

IUPACN-[1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyridazin-3-amine
SMILESCC(C)(C)c1coc(CN2CCC(Nc3cccnn3)CC2)n1
InChIInChI=1S/C17H25N5O/c1-17(2,3)14-12-23-16(20-14)11-22-9-6-13(7-10-22)19-15-5-4-8-18-21-15/h4-5,8,12-13H,6-7,9-11H2,1-3H3,(H,19,21)
InChIKeyBEQZTZBNOGJUDV-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.84
Rot. Bonds4

About N-[1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyridazin-3-amine

N-[1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyridazin-3-amine (PubChem CID 138030371) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyridazin-3-amine
PubChem CID138030371
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyridazin-3-amine
SMILESCC(C)(C)c1coc(CN2CCC(Nc3cccnn3)CC2)n1
InChIInChI=1S/C17H25N5O/c1-17(2,3)14-12-23-16(20-14)11-22-9-6-13(7-10-22)19-15-5-4-8-18-21-15/h4-5,8,12-13H,6-7,9-11H2,1-3H3,(H,19,21)
InChIKeyBEQZTZBNOGJUDV-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 53623835
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778271
N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872203
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 72144224
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 53614011
N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine
CID 71872592
N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine
CID 71872624
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-pyridazin-3-ylpiperazine-1-carboxamide
CID 75438161
(3R)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95337918
(3S)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95337919
(3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 95350046
(3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 95350047

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyridazin-3-amine?
The IUPAC name of N-[1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyridazin-3-amine (CID 138030371) is N-[1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyridazin-3-amine.
What is the SMILES notation for N-[1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyridazin-3-amine?
The canonical SMILES for N-[1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyridazin-3-amine is CC(C)(C)c1coc(CN2CCC(Nc3cccnn3)CC2)n1.
What is the InChIKey of N-[1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyridazin-3-amine?
The InChIKey is BEQZTZBNOGJUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-17(2,3)14-12-23-16(20-14)11-22-9-6-13(7-10-22)19-15-5-4-8-18-21-15/h4-5,8,12-13H,6-7,9-11H2,1-3H3,(H,19,21).
What are the key properties of N-[1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyridazin-3-amine?
N-[1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyridazin-3-amine has a molecular weight of 315.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyridazin-3-amine is sourced from PubChem (CID 138030371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).