2-methylidene-3-[3-methyl-4-[1-[4-(3-methyl-5-propyl-2-pyridinyl)piperazin-1-yl]ethenyl]phenyl]-1,3-oxazolidine

C26H34N4O — CID 143982821

IUPAC2-methylidene-3-[3-methyl-4-[1-[4-(3-methyl-5-propyl-2-pyridinyl)piperazin-1-yl]ethenyl]phenyl]-1,3-oxazolidine
SMILESC=C(c1ccc(N2CCOC2=C)cc1C)N1CCN(c2ncc(CCC)cc2C)CC1
InChIInChI=1S/C26H34N4O/c1-6-7-23-16-20(3)26(27-18-23)29-12-10-28(11-13-29)21(4)25-9-8-24(17-19(25)2)30-14-15-31-22(30)5/h8-9,16-18H,4-7,10-15H2,1-3H3
InChIKeyFIMLDXQVYOJDHV-UHFFFAOYSA-N
MW418.59 g/mol
LogP4.75
Rot. Bonds6

About 2-methylidene-3-[3-methyl-4-[1-[4-(3-methyl-5-propyl-2-pyridinyl)piperazin-1-yl]ethenyl]phenyl]-1,3-oxazolidine

2-methylidene-3-[3-methyl-4-[1-[4-(3-methyl-5-propyl-2-pyridinyl)piperazin-1-yl]ethenyl]phenyl]-1,3-oxazolidine (PubChem CID 143982821) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 2-methylidene-3-[3-methyl-4-[1-[4-(3-methyl-5-propyl-2-pyridinyl)piperazin-1-yl]ethenyl]phenyl]-1,3-oxazolidine.

Molecular Properties

Compound Name2-methylidene-3-[3-methyl-4-[1-[4-(3-methyl-5-propyl-2-pyridinyl)piperazin-1-yl]ethenyl]phenyl]-1,3-oxazolidine
PubChem CID143982821
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name2-methylidene-3-[3-methyl-4-[1-[4-(3-methyl-5-propyl-2-pyridinyl)piperazin-1-yl]ethenyl]phenyl]-1,3-oxazolidine
SMILESC=C(c1ccc(N2CCOC2=C)cc1C)N1CCN(c2ncc(CCC)cc2C)CC1
InChIInChI=1S/C26H34N4O/c1-6-7-23-16-20(3)26(27-18-23)29-12-10-28(11-13-29)21(4)25-9-8-24(17-19(25)2)30-14-15-31-22(30)5/h8-9,16-18H,4-7,10-15H2,1-3H3
InChIKeyFIMLDXQVYOJDHV-UHFFFAOYSA-N
XLogP4.75
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-[3-methyl-4-[1-[4-(3-methyl-5-propyl-2-pyridinyl)piperazin-1-yl]ethenyl]phenyl]-1,3-oxazolidine?
The IUPAC name of 2-methylidene-3-[3-methyl-4-[1-[4-(3-methyl-5-propyl-2-pyridinyl)piperazin-1-yl]ethenyl]phenyl]-1,3-oxazolidine (CID 143982821) is 2-methylidene-3-[3-methyl-4-[1-[4-(3-methyl-5-propyl-2-pyridinyl)piperazin-1-yl]ethenyl]phenyl]-1,3-oxazolidine.
What is the SMILES notation for 2-methylidene-3-[3-methyl-4-[1-[4-(3-methyl-5-propyl-2-pyridinyl)piperazin-1-yl]ethenyl]phenyl]-1,3-oxazolidine?
The canonical SMILES for 2-methylidene-3-[3-methyl-4-[1-[4-(3-methyl-5-propyl-2-pyridinyl)piperazin-1-yl]ethenyl]phenyl]-1,3-oxazolidine is C=C(c1ccc(N2CCOC2=C)cc1C)N1CCN(c2ncc(CCC)cc2C)CC1.
What is the InChIKey of 2-methylidene-3-[3-methyl-4-[1-[4-(3-methyl-5-propyl-2-pyridinyl)piperazin-1-yl]ethenyl]phenyl]-1,3-oxazolidine?
The InChIKey is FIMLDXQVYOJDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c1-6-7-23-16-20(3)26(27-18-23)29-12-10-28(11-13-29)21(4)25-9-8-24(17-19(25)2)30-14-15-31-22(30)5/h8-9,16-18H,4-7,10-15H2,1-3H3.
What are the key properties of 2-methylidene-3-[3-methyl-4-[1-[4-(3-methyl-5-propyl-2-pyridinyl)piperazin-1-yl]ethenyl]phenyl]-1,3-oxazolidine?
2-methylidene-3-[3-methyl-4-[1-[4-(3-methyl-5-propyl-2-pyridinyl)piperazin-1-yl]ethenyl]phenyl]-1,3-oxazolidine has a molecular weight of 418.59 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-[3-methyl-4-[1-[4-(3-methyl-5-propyl-2-pyridinyl)piperazin-1-yl]ethenyl]phenyl]-1,3-oxazolidine is sourced from PubChem (CID 143982821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).