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

C8H14N2O2 — CID 20523781

IUPACN-butyl-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESCCCCNC(=O)C1=NCCO1
InChIInChI=1S/C8H14N2O2/c1-2-3-4-9-7(11)8-10-5-6-12-8/h2-6H2,1H3,(H,9,11)
InChIKeyALFMDUUXYKFHIN-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.33
Rot. Bonds4

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

N-butyl-4,5-dihydro-1,3-oxazole-2-carboxamide (PubChem CID 20523781) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-butyl-4,5-dihydro-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4,5-dihydro-1,3-oxazole-2-carboxamide
PubChem CID20523781
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-butyl-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESCCCCNC(=O)C1=NCCO1
InChIInChI=1S/C8H14N2O2/c1-2-3-4-9-7(11)8-10-5-6-12-8/h2-6H2,1H3,(H,9,11)
InChIKeyALFMDUUXYKFHIN-UHFFFAOYSA-N
XLogP0.33
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.33
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

N-butyl-2-methoxyacetamide
CID 13708111
N-(4-aminobutyl)-2-methoxyacetamide
CID 61279183
Hexyl diglycolamide
CID 168430100
N-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide
CID 118721811
N-[4-(3-aminopropylamino)butyl]-2-methoxyacetamide
CID 118721814
N-butyl-2-ethoxyacetamide
CID 4132613
2-ethoxy-N-propylacetamide
CID 4608740
2,2'-Oxybis(N-propylacetamide)
CID 13126648
N,Na(2)-1,6-Hexanediylbis[4,5-dihydro-2-oxazolecarboxamide]
CID 18347274
N-pentyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523756
N-propan-2-yl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523757
N-hexyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523758

Frequently Asked Questions

What is the IUPAC name of N-butyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The IUPAC name of N-butyl-4,5-dihydro-1,3-oxazole-2-carboxamide (CID 20523781) is N-butyl-4,5-dihydro-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-butyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-butyl-4,5-dihydro-1,3-oxazole-2-carboxamide is CCCCNC(=O)C1=NCCO1.
What is the InChIKey of N-butyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The InChIKey is ALFMDUUXYKFHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-3-4-9-7(11)8-10-5-6-12-8/h2-6H2,1H3,(H,9,11).
What are the key properties of N-butyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
N-butyl-4,5-dihydro-1,3-oxazole-2-carboxamide has a molecular weight of 170.21 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4,5-dihydro-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 20523781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).