2-[[3-[methyl-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile

C18H27N5O — CID 71871797

IUPAC2-[[3-[methyl-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile
SMILESCC(C)c1cnc(CN(C)C2CCN(CC(C#N)CCC#N)C2)o1
InChIInChI=1S/C18H27N5O/c1-14(2)17-10-21-18(24-17)13-22(3)16-6-8-23(12-16)11-15(9-20)5-4-7-19/h10,14-16H,4-6,8,11-13H2,1-3H3
InChIKeyGEXIIFUSYHBUNN-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.75
Rot. Bonds8

About 2-[[3-[methyl-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile

2-[[3-[methyl-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile (PubChem CID 71871797) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-[[3-[methyl-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile.

Molecular Properties

Compound Name2-[[3-[methyl-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile
PubChem CID71871797
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name2-[[3-[methyl-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile
SMILESCC(C)c1cnc(CN(C)C2CCN(CC(C#N)CCC#N)C2)o1
InChIInChI=1S/C18H27N5O/c1-14(2)17-10-21-18(24-17)13-22(3)16-6-8-23(12-16)11-15(9-20)5-4-7-19/h10,14-16H,4-6,8,11-13H2,1-3H3
InChIKeyGEXIIFUSYHBUNN-UHFFFAOYSA-N
XLogP2.75
TPSA80.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[methyl-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile?
The IUPAC name of 2-[[3-[methyl-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile (CID 71871797) is 2-[[3-[methyl-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile.
What is the SMILES notation for 2-[[3-[methyl-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile?
The canonical SMILES for 2-[[3-[methyl-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile is CC(C)c1cnc(CN(C)C2CCN(CC(C#N)CCC#N)C2)o1.
What is the InChIKey of 2-[[3-[methyl-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile?
The InChIKey is GEXIIFUSYHBUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-14(2)17-10-21-18(24-17)13-22(3)16-6-8-23(12-16)11-15(9-20)5-4-7-19/h10,14-16H,4-6,8,11-13H2,1-3H3.
What are the key properties of 2-[[3-[methyl-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile?
2-[[3-[methyl-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile has a molecular weight of 329.45 g/mol, XLogP of 2.75, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[methyl-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile is sourced from PubChem (CID 71871797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).