4-methyl-2-[6-[3-(2-methylpyrrolidin-1-yl)propoxy]-3-pyridinyl]-4-(pyrrolidin-1-ylmethyl)-5H-1,3-oxazole

C22H34N4O2 — CID 11949853

IUPAC4-methyl-2-[6-[3-(2-methylpyrrolidin-1-yl)propoxy]-3-pyridinyl]-4-(pyrrolidin-1-ylmethyl)-5H-1,3-oxazole
SMILESCC1CCCN1CCCOc1ccc(C2=NC(C)(CN3CCCC3)CO2)cn1
InChIInChI=1S/C22H34N4O2/c1-18-7-5-12-26(18)13-6-14-27-20-9-8-19(15-23-20)21-24-22(2,17-28-21)16-25-10-3-4-11-25/h8-9,15,18H,3-7,10-14,16-17H2,1-2H3
InChIKeyJPICBUNINAVXLI-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.97
Rot. Bonds8

About 4-methyl-2-[6-[3-(2-methylpyrrolidin-1-yl)propoxy]-3-pyridinyl]-4-(pyrrolidin-1-ylmethyl)-5H-1,3-oxazole

4-methyl-2-[6-[3-(2-methylpyrrolidin-1-yl)propoxy]-3-pyridinyl]-4-(pyrrolidin-1-ylmethyl)-5H-1,3-oxazole (PubChem CID 11949853) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 4-methyl-2-[6-[3-(2-methylpyrrolidin-1-yl)propoxy]-3-pyridinyl]-4-(pyrrolidin-1-ylmethyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-[6-[3-(2-methylpyrrolidin-1-yl)propoxy]-3-pyridinyl]-4-(pyrrolidin-1-ylmethyl)-5H-1,3-oxazole
PubChem CID11949853
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name4-methyl-2-[6-[3-(2-methylpyrrolidin-1-yl)propoxy]-3-pyridinyl]-4-(pyrrolidin-1-ylmethyl)-5H-1,3-oxazole
SMILESCC1CCCN1CCCOc1ccc(C2=NC(C)(CN3CCCC3)CO2)cn1
InChIInChI=1S/C22H34N4O2/c1-18-7-5-12-26(18)13-6-14-27-20-9-8-19(15-23-20)21-24-22(2,17-28-21)16-25-10-3-4-11-25/h8-9,15,18H,3-7,10-14,16-17H2,1-2H3
InChIKeyJPICBUNINAVXLI-UHFFFAOYSA-N
XLogP2.97
TPSA50.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[6-[3-(2-methylpyrrolidin-1-yl)propoxy]-3-pyridinyl]-4-(pyrrolidin-1-ylmethyl)-5H-1,3-oxazole?
The IUPAC name of 4-methyl-2-[6-[3-(2-methylpyrrolidin-1-yl)propoxy]-3-pyridinyl]-4-(pyrrolidin-1-ylmethyl)-5H-1,3-oxazole (CID 11949853) is 4-methyl-2-[6-[3-(2-methylpyrrolidin-1-yl)propoxy]-3-pyridinyl]-4-(pyrrolidin-1-ylmethyl)-5H-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-[6-[3-(2-methylpyrrolidin-1-yl)propoxy]-3-pyridinyl]-4-(pyrrolidin-1-ylmethyl)-5H-1,3-oxazole?
The canonical SMILES for 4-methyl-2-[6-[3-(2-methylpyrrolidin-1-yl)propoxy]-3-pyridinyl]-4-(pyrrolidin-1-ylmethyl)-5H-1,3-oxazole is CC1CCCN1CCCOc1ccc(C2=NC(C)(CN3CCCC3)CO2)cn1.
What is the InChIKey of 4-methyl-2-[6-[3-(2-methylpyrrolidin-1-yl)propoxy]-3-pyridinyl]-4-(pyrrolidin-1-ylmethyl)-5H-1,3-oxazole?
The InChIKey is JPICBUNINAVXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-18-7-5-12-26(18)13-6-14-27-20-9-8-19(15-23-20)21-24-22(2,17-28-21)16-25-10-3-4-11-25/h8-9,15,18H,3-7,10-14,16-17H2,1-2H3.
What are the key properties of 4-methyl-2-[6-[3-(2-methylpyrrolidin-1-yl)propoxy]-3-pyridinyl]-4-(pyrrolidin-1-ylmethyl)-5H-1,3-oxazole?
4-methyl-2-[6-[3-(2-methylpyrrolidin-1-yl)propoxy]-3-pyridinyl]-4-(pyrrolidin-1-ylmethyl)-5H-1,3-oxazole has a molecular weight of 386.54 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[6-[3-(2-methylpyrrolidin-1-yl)propoxy]-3-pyridinyl]-4-(pyrrolidin-1-ylmethyl)-5H-1,3-oxazole is sourced from PubChem (CID 11949853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).