3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propan-1-one

C23H27N5O3 — CID 86905172

IUPAC3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propan-1-one
SMILESCOc1ccc(-c2cnc(CCC(=O)N3CCC(N(C)c4cccnn4)CC3)o2)cc1
InChIInChI=1S/C23H27N5O3/c1-27(21-4-3-13-25-26-21)18-11-14-28(15-12-18)23(29)10-9-22-24-16-20(31-22)17-5-7-19(30-2)8-6-17/h3-8,13,16,18H,9-12,14-15H2,1-2H3
InChIKeyYSUFXLRIRVZLIJ-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.20
Rot. Bonds7

About 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propan-1-one

3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propan-1-one (PubChem CID 86905172) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propan-1-one
PubChem CID86905172
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propan-1-one
SMILESCOc1ccc(-c2cnc(CCC(=O)N3CCC(N(C)c4cccnn4)CC3)o2)cc1
InChIInChI=1S/C23H27N5O3/c1-27(21-4-3-13-25-26-21)18-11-14-28(15-12-18)23(29)10-9-22-24-16-20(31-22)17-5-7-19(30-2)8-6-17/h3-8,13,16,18H,9-12,14-15H2,1-2H3
InChIKeyYSUFXLRIRVZLIJ-UHFFFAOYSA-N
XLogP3.20
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-(4-methylphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 86867799
1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 55906898
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one
CID 52521306
1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride
CID 119560940
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 37279378
2-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]acetic acid
CID 119178646
1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 56780017
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 55498471
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 38491702
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 111560993
N-butyl-N-methyl-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxamide
CID 55950149
N-[(2-hydroxycyclopentyl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 111471424

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propan-1-one (CID 86905172) is 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propan-1-one is COc1ccc(-c2cnc(CCC(=O)N3CCC(N(C)c4cccnn4)CC3)o2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propan-1-one?
The InChIKey is YSUFXLRIRVZLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-27(21-4-3-13-25-26-21)18-11-14-28(15-12-18)23(29)10-9-22-24-16-20(31-22)17-5-7-19(30-2)8-6-17/h3-8,13,16,18H,9-12,14-15H2,1-2H3.
What are the key properties of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propan-1-one?
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propan-1-one has a molecular weight of 421.50 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 86905172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).