3-(dibenzylamino)oxolane-3-carbonitrile

C19H20N2O — CID 71254443

IUPAC3-(dibenzylamino)oxolane-3-carbonitrile
SMILESN#CC1(N(Cc2ccccc2)Cc2ccccc2)CCOC1
InChIInChI=1S/C19H20N2O/c20-15-19(11-12-22-16-19)21(13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10H,11-14,16H2
InChIKeyWOBBQCHKCMORKM-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.37
Rot. Bonds5

About 3-(dibenzylamino)oxolane-3-carbonitrile

3-(dibenzylamino)oxolane-3-carbonitrile (PubChem CID 71254443) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(dibenzylamino)oxolane-3-carbonitrile.

Molecular Properties

Compound Name3-(dibenzylamino)oxolane-3-carbonitrile
PubChem CID71254443
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name3-(dibenzylamino)oxolane-3-carbonitrile
SMILESN#CC1(N(Cc2ccccc2)Cc2ccccc2)CCOC1
InChIInChI=1S/C19H20N2O/c20-15-19(11-12-22-16-19)21(13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10H,11-14,16H2
InChIKeyWOBBQCHKCMORKM-UHFFFAOYSA-N
XLogP3.37
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(3Z)-3-benzylidene-2-morpholin-4-ylcyclopentene-1-carbonitrile
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2,2'-Oxybis(N-benzyl-N,N-dimethylethan-1-aminium) dichloride
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rac-(2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile
CID 118407215
4-Morpholineethanamine,N,N-bis(phenylmethyl)-
CID 50993
4-[[3-(Morpholin-4-ylmethyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 72126004
4,10-Dibenzyl-1,7-dioxa-4,10-diazacyclododecane
CID 988725
(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine
CID 11173187
3-[[13-[(3-Cyanophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]benzonitrile
CID 44123643

Frequently Asked Questions

What is the IUPAC name of 3-(dibenzylamino)oxolane-3-carbonitrile?
The IUPAC name of 3-(dibenzylamino)oxolane-3-carbonitrile (CID 71254443) is 3-(dibenzylamino)oxolane-3-carbonitrile.
What is the SMILES notation for 3-(dibenzylamino)oxolane-3-carbonitrile?
The canonical SMILES for 3-(dibenzylamino)oxolane-3-carbonitrile is N#CC1(N(Cc2ccccc2)Cc2ccccc2)CCOC1.
What is the InChIKey of 3-(dibenzylamino)oxolane-3-carbonitrile?
The InChIKey is WOBBQCHKCMORKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c20-15-19(11-12-22-16-19)21(13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10H,11-14,16H2.
What are the key properties of 3-(dibenzylamino)oxolane-3-carbonitrile?
3-(dibenzylamino)oxolane-3-carbonitrile has a molecular weight of 292.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibenzylamino)oxolane-3-carbonitrile is sourced from PubChem (CID 71254443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).