N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine

C18H21N5O2 — CID 95766325

IUPACN-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
SMILESCc1oc(-c2ccco2)nc1CNC[C@@H]1CCCN1c1cccnn1
InChIInChI=1S/C18H21N5O2/c1-13-15(21-18(25-13)16-6-4-10-24-16)12-19-11-14-5-3-9-23(14)17-7-2-8-20-22-17/h2,4,6-8,10,14,19H,3,5,9,11-12H2,1H3/t14-/m0/s1
InChIKeyKEORPBSCSUCWRP-AWEZNQCLSA-N
MW339.40 g/mol
LogP2.79
Rot. Bonds6

About N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine

N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine (PubChem CID 95766325) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
PubChem CID95766325
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
SMILESCc1oc(-c2ccco2)nc1CNC[C@@H]1CCCN1c1cccnn1
InChIInChI=1S/C18H21N5O2/c1-13-15(21-18(25-13)16-6-4-10-24-16)12-19-11-14-5-3-9-23(14)17-7-2-8-20-22-17/h2,4,6-8,10,14,19H,3,5,9,11-12H2,1H3/t14-/m0/s1
InChIKeyKEORPBSCSUCWRP-AWEZNQCLSA-N
XLogP2.79
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95600122
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95764526
2-[3,5-dimethyl-4-[[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]pyrazol-1-yl]ethanol
CID 97199193
(2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 95600206
N-[(4-methylsulfonylphenyl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95610651
2-[(2S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-2-yl]acetamide
CID 95296870
N-(2H-chromen-3-ylmethyl)-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95979097
2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
CID 95610324
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95979099
1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 95610877
N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600155
2,5,6-trimethyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 167981169

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?
The IUPAC name of N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine (CID 95766325) is N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?
The canonical SMILES for N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine is Cc1oc(-c2ccco2)nc1CNC[C@@H]1CCCN1c1cccnn1.
What is the InChIKey of N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?
The InChIKey is KEORPBSCSUCWRP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13-15(21-18(25-13)16-6-4-10-24-16)12-19-11-14-5-3-9-23(14)17-7-2-8-20-22-17/h2,4,6-8,10,14,19H,3,5,9,11-12H2,1H3/t14-/m0/s1.
What are the key properties of N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?
N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine has a molecular weight of 339.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 95766325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).