N-octyl-4,5-dihydro-1,3-oxazole-2-carboxamide

C12H22N2O2 — CID 20523802

IUPACN-octyl-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESCCCCCCCCNC(=O)C1=NCCO1
InChIInChI=1S/C12H22N2O2/c1-2-3-4-5-6-7-8-13-11(15)12-14-9-10-16-12/h2-10H2,1H3,(H,13,15)
InChIKeyHRCJAHIWNJHLQI-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.89
Rot. Bonds8

About N-octyl-4,5-dihydro-1,3-oxazole-2-carboxamide

N-octyl-4,5-dihydro-1,3-oxazole-2-carboxamide (PubChem CID 20523802) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-octyl-4,5-dihydro-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-octyl-4,5-dihydro-1,3-oxazole-2-carboxamide
PubChem CID20523802
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-octyl-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESCCCCCCCCNC(=O)C1=NCCO1
InChIInChI=1S/C12H22N2O2/c1-2-3-4-5-6-7-8-13-11(15)12-14-9-10-16-12/h2-10H2,1H3,(H,13,15)
InChIKeyHRCJAHIWNJHLQI-UHFFFAOYSA-N
XLogP1.89
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
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 60671004
N'-decyl-3-oxapentane-1,5-diamide
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N'-tetradecyl-3-oxapentanediamide
CID 88314350
N-heptyl-2-methoxyacetamide
CID 90291620
n-Octyl diglycolamide
CID 129831471
2,2'-Oxybis(N-hexylacetamide)
CID 15787992
2-methoxy-N-[(2R)-octan-2-yl]acetamide
CID 24179219
Ethylhexyl diglycolamide
CID 129821394
2,2'-Oxybis(n-dodecylacetamide)
CID 129831600
Hexyl diglycolamide
CID 168430100
N,N-dioctyl-2-(2-(octylamino)-2-oxoethoxy)acetamide
CID 172678045
Acetamide, 2,2'-(ethylenedioxy)bis[n-dodecyl-
CID 618089

Frequently Asked Questions

What is the IUPAC name of N-octyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The IUPAC name of N-octyl-4,5-dihydro-1,3-oxazole-2-carboxamide (CID 20523802) is N-octyl-4,5-dihydro-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-octyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-octyl-4,5-dihydro-1,3-oxazole-2-carboxamide is CCCCCCCCNC(=O)C1=NCCO1.
What is the InChIKey of N-octyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The InChIKey is HRCJAHIWNJHLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-3-4-5-6-7-8-13-11(15)12-14-9-10-16-12/h2-10H2,1H3,(H,13,15).
What are the key properties of N-octyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
N-octyl-4,5-dihydro-1,3-oxazole-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-4,5-dihydro-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 20523802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).