(5E)-3-methyl-4-methylidene-5-[(E)-2-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]hex-2-enylidene]-1,3-oxazolidin-2-one

C22H26N4O2 — CID 167207531

IUPAC(5E)-3-methyl-4-methylidene-5-[(E)-2-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]hex-2-enylidene]-1,3-oxazolidin-2-one
SMILESC=c1/c(=C\C(=C/CCC)c2nn(-c3ccccc3)c(NC)c2C)oc(=O)n1C
InChIInChI=1S/C22H26N4O2/c1-6-7-11-17(14-19-16(3)25(5)22(27)28-19)20-15(2)21(23-4)26(24-20)18-12-9-8-10-13-18/h8-14,23H,3,6-7H2,1-2,4-5H3/b17-11+,19-14+
InChIKeyCJVUCILPSXZDKN-NIYHAGRISA-N
MW378.48 g/mol
LogP2.59
Rot. Bonds6

About (5E)-3-methyl-4-methylidene-5-[(E)-2-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]hex-2-enylidene]-1,3-oxazolidin-2-one

(5E)-3-methyl-4-methylidene-5-[(E)-2-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]hex-2-enylidene]-1,3-oxazolidin-2-one (PubChem CID 167207531) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (5E)-3-methyl-4-methylidene-5-[(E)-2-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]hex-2-enylidene]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5E)-3-methyl-4-methylidene-5-[(E)-2-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]hex-2-enylidene]-1,3-oxazolidin-2-one
PubChem CID167207531
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(5E)-3-methyl-4-methylidene-5-[(E)-2-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]hex-2-enylidene]-1,3-oxazolidin-2-one
SMILESC=c1/c(=C\C(=C/CCC)c2nn(-c3ccccc3)c(NC)c2C)oc(=O)n1C
InChIInChI=1S/C22H26N4O2/c1-6-7-11-17(14-19-16(3)25(5)22(27)28-19)20-15(2)21(23-4)26(24-20)18-12-9-8-10-13-18/h8-14,23H,3,6-7H2,1-2,4-5H3/b17-11+,19-14+
InChIKeyCJVUCILPSXZDKN-NIYHAGRISA-N
XLogP2.59
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5E)-3-methyl-4-methylidene-5-[(E)-2-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]hex-2-enylidene]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

N,4-dimethyl-3-[(2Z,4E)-octa-2,4-dien-4-yl]-1-phenylpyrazol-5-amine
CID 134567678
3-[(E)-3-(2,2-difluoroethylimino)-1-(methylideneamino)prop-1-en-2-yl]-N,4-dimethyl-1-phenylpyrazol-5-amine
CID 145228988
(2E,4E)-5-formamido-N,2-dimethyl-4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]penta-2,4-dienamide
CID 145228722
3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine
CID 142337220
4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]oxybutanal
CID 145228971
4,5-dimethyl-3-penta-1,3-dien-3-yl-1-phenylpyrazole
CID 123402628
butane;formamide;4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]oxy-1-(4-methylpiperazin-1-yl)butan-1-one
CID 145229102
formamide;[4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]-2-pyridinyl]methanol
CID 145228703
methanol;3-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]cyclobutan-1-ol
CID 144628837
3-[(dimethylamino)methyl]-5-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridine-2-carbaldehyde;ethenamine
CID 145228401
N,4-dimethyl-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1-phenylpyrazol-5-amine;formaldehyde
CID 145228684
acetylene;1,2-difluorobenzene;3-(2-methoxy-1,4-dihydropyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine;N-[(4R)-2-propyl-1,2-oxazolidin-4-yl]formamide
CID 145228569

Frequently Asked Questions

What is the IUPAC name of (5E)-3-methyl-4-methylidene-5-[(E)-2-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]hex-2-enylidene]-1,3-oxazolidin-2-one?
The IUPAC name of (5E)-3-methyl-4-methylidene-5-[(E)-2-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]hex-2-enylidene]-1,3-oxazolidin-2-one (CID 167207531) is (5E)-3-methyl-4-methylidene-5-[(E)-2-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]hex-2-enylidene]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5E)-3-methyl-4-methylidene-5-[(E)-2-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]hex-2-enylidene]-1,3-oxazolidin-2-one?
The canonical SMILES for (5E)-3-methyl-4-methylidene-5-[(E)-2-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]hex-2-enylidene]-1,3-oxazolidin-2-one is C=c1/c(=C\C(=C/CCC)c2nn(-c3ccccc3)c(NC)c2C)oc(=O)n1C.
What is the InChIKey of (5E)-3-methyl-4-methylidene-5-[(E)-2-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]hex-2-enylidene]-1,3-oxazolidin-2-one?
The InChIKey is CJVUCILPSXZDKN-NIYHAGRISA-N. The full InChI is InChI=1S/C22H26N4O2/c1-6-7-11-17(14-19-16(3)25(5)22(27)28-19)20-15(2)21(23-4)26(24-20)18-12-9-8-10-13-18/h8-14,23H,3,6-7H2,1-2,4-5H3/b17-11+,19-14+.
What are the key properties of (5E)-3-methyl-4-methylidene-5-[(E)-2-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]hex-2-enylidene]-1,3-oxazolidin-2-one?
(5E)-3-methyl-4-methylidene-5-[(E)-2-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]hex-2-enylidene]-1,3-oxazolidin-2-one has a molecular weight of 378.48 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methyl-4-methylidene-5-[(E)-2-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]hex-2-enylidene]-1,3-oxazolidin-2-one is sourced from PubChem (CID 167207531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).