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

C9H16N2O2 — CID 20523784

IUPACN-pentyl-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESCCCCCNC(=O)C1=NCCO1
InChIInChI=1S/C9H16N2O2/c1-2-3-4-5-10-8(12)9-11-6-7-13-9/h2-7H2,1H3,(H,10,12)
InChIKeyKYWFMEYMBWYUFN-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.72
Rot. Bonds5

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

N-pentyl-4,5-dihydro-1,3-oxazole-2-carboxamide (PubChem CID 20523784) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-pentyl-4,5-dihydro-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-pentyl-4,5-dihydro-1,3-oxazole-2-carboxamide
PubChem CID20523784
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-pentyl-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESCCCCCNC(=O)C1=NCCO1
InChIInChI=1S/C9H16N2O2/c1-2-3-4-5-10-8(12)9-11-6-7-13-9/h2-7H2,1H3,(H,10,12)
InChIKeyKYWFMEYMBWYUFN-UHFFFAOYSA-N
XLogP0.72
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.72
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-propyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523847
4-N,5-N,10-N,11-N,16-N,17-N-hexahexyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene-4,5,10,11,16,17-hexacarboxamide
CID 14294049
N-butyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763643
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pentylthiophene-2-carboxamide
CID 35812191
5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide
CID 46087349
3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 137320445
N-pentylpyridine-4-carboxamide
CID 2307296
5-ethyl-N-pentyl-1,2-oxazole-3-carboxamide
CID 160831155
N-hexylpyridine-4-carboxamide
CID 3423732
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
N-butyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 51180619
N,N'-diheptyloxamide
CID 3417538

Frequently Asked Questions

What is the IUPAC name of N-pentyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The IUPAC name of N-pentyl-4,5-dihydro-1,3-oxazole-2-carboxamide (CID 20523784) is N-pentyl-4,5-dihydro-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-pentyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-pentyl-4,5-dihydro-1,3-oxazole-2-carboxamide is CCCCCNC(=O)C1=NCCO1.
What is the InChIKey of N-pentyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The InChIKey is KYWFMEYMBWYUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-3-4-5-10-8(12)9-11-6-7-13-9/h2-7H2,1H3,(H,10,12).
What are the key properties of N-pentyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
N-pentyl-4,5-dihydro-1,3-oxazole-2-carboxamide has a molecular weight of 184.24 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4,5-dihydro-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 20523784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).