4-[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole

C17H22N2O2 — CID 50962737

IUPAC4-[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESC/C(=C\c1ccco1)CN1CCCC1c1c(C)noc1C
InChIInChI=1S/C17H22N2O2/c1-12(10-15-6-5-9-20-15)11-19-8-4-7-16(19)17-13(2)18-21-14(17)3/h5-6,9-10,16H,4,7-8,11H2,1-3H3/b12-10+
InChIKeyUGOFGRCGPZSOAC-ZRDIBKRKSA-N
MW286.37 g/mol
LogP4.12
Rot. Bonds4

About 4-[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole

4-[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 50962737) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID50962737
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name4-[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESC/C(=C\c1ccco1)CN1CCCC1c1c(C)noc1C
InChIInChI=1S/C17H22N2O2/c1-12(10-15-6-5-9-20-15)11-19-8-4-7-16(19)17-13(2)18-21-14(17)3/h5-6,9-10,16H,4,7-8,11H2,1-3H3/b12-10+
InChIKeyUGOFGRCGPZSOAC-ZRDIBKRKSA-N
XLogP4.12
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole (CID 50962737) is 4-[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole is C/C(=C\c1ccco1)CN1CCCC1c1c(C)noc1C.
What is the InChIKey of 4-[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is UGOFGRCGPZSOAC-ZRDIBKRKSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(10-15-6-5-9-20-15)11-19-8-4-7-16(19)17-13(2)18-21-14(17)3/h5-6,9-10,16H,4,7-8,11H2,1-3H3/b12-10+.
What are the key properties of 4-[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 286.37 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 50962737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).