2-undecan-5-yl-4,5-dihydro-1,3-oxazole-4-carbonitrile

C15H26N2O — CID 155019743

IUPAC2-undecan-5-yl-4,5-dihydro-1,3-oxazole-4-carbonitrile
SMILESCCCCCCC(CCCC)C1=NC(C#N)CO1
InChIInChI=1S/C15H26N2O/c1-3-5-7-8-10-13(9-6-4-2)15-17-14(11-16)12-18-15/h13-14H,3-10,12H2,1-2H3
InChIKeyAYVLUEWOWFBMGK-UHFFFAOYSA-N
MW250.39 g/mol
LogP4.08
Rot. Bonds9

About 2-undecan-5-yl-4,5-dihydro-1,3-oxazole-4-carbonitrile

2-undecan-5-yl-4,5-dihydro-1,3-oxazole-4-carbonitrile (PubChem CID 155019743) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-undecan-5-yl-4,5-dihydro-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-undecan-5-yl-4,5-dihydro-1,3-oxazole-4-carbonitrile
PubChem CID155019743
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-undecan-5-yl-4,5-dihydro-1,3-oxazole-4-carbonitrile
SMILESCCCCCCC(CCCC)C1=NC(C#N)CO1
InChIInChI=1S/C15H26N2O/c1-3-5-7-8-10-13(9-6-4-2)15-17-14(11-16)12-18-15/h13-14H,3-10,12H2,1-2H3
InChIKeyAYVLUEWOWFBMGK-UHFFFAOYSA-N
XLogP4.08
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 22413854
2-octyldodecanenitrile
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1-(oxiran-2-yl)dodecan-1-ol
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1-(oxiran-2-yl)octadecan-1-ol
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4-hydroxydodecanenitrile
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(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol
CID 10975958
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol
CID 71567298
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-1-ol
CID 11447934
4-dodecan-6-ylbenzonitrile
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dodecan-2-yl(trimethyl)silane
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Frequently Asked Questions

What is the IUPAC name of 2-undecan-5-yl-4,5-dihydro-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-undecan-5-yl-4,5-dihydro-1,3-oxazole-4-carbonitrile (CID 155019743) is 2-undecan-5-yl-4,5-dihydro-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-undecan-5-yl-4,5-dihydro-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-undecan-5-yl-4,5-dihydro-1,3-oxazole-4-carbonitrile is CCCCCCC(CCCC)C1=NC(C#N)CO1.
What is the InChIKey of 2-undecan-5-yl-4,5-dihydro-1,3-oxazole-4-carbonitrile?
The InChIKey is AYVLUEWOWFBMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-5-7-8-10-13(9-6-4-2)15-17-14(11-16)12-18-15/h13-14H,3-10,12H2,1-2H3.
What are the key properties of 2-undecan-5-yl-4,5-dihydro-1,3-oxazole-4-carbonitrile?
2-undecan-5-yl-4,5-dihydro-1,3-oxazole-4-carbonitrile has a molecular weight of 250.39 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecan-5-yl-4,5-dihydro-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 155019743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).