3-(1,3-oxazol-4-yl)-N-pentylpropanamide

C11H18N2O2 — CID 110679032

IUPAC3-(1,3-oxazol-4-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCc1cocn1
InChIInChI=1S/C11H18N2O2/c1-2-3-4-7-12-11(14)6-5-10-8-15-9-13-10/h8-9H,2-7H2,1H3,(H,12,14)
InChIKeyYTVQNAKNXAEEDL-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.91
Rot. Bonds7

About 3-(1,3-oxazol-4-yl)-N-pentylpropanamide

3-(1,3-oxazol-4-yl)-N-pentylpropanamide (PubChem CID 110679032) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(1,3-oxazol-4-yl)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(1,3-oxazol-4-yl)-N-pentylpropanamide
PubChem CID110679032
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(1,3-oxazol-4-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCc1cocn1
InChIInChI=1S/C11H18N2O2/c1-2-3-4-7-12-11(14)6-5-10-8-15-9-13-10/h8-9H,2-7H2,1H3,(H,12,14)
InChIKeyYTVQNAKNXAEEDL-UHFFFAOYSA-N
XLogP1.91
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.91
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

4-pentyl-1,3-oxazole
CID 19420718
2-(1,3-oxazol-4-yl)-N-propylacetamide
CID 110686223
4-[[2-(1,3-oxazol-4-yl)acetyl]amino]butanoic acid
CID 110836026
3-[[2-(1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 83617873
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
N-nonyltridecanamide
CID 154228217
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N'-heptyl-N-hexylpentanediamide
CID 154688669
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazol-4-yl)-N-pentylpropanamide?
The IUPAC name of 3-(1,3-oxazol-4-yl)-N-pentylpropanamide (CID 110679032) is 3-(1,3-oxazol-4-yl)-N-pentylpropanamide.
What is the SMILES notation for 3-(1,3-oxazol-4-yl)-N-pentylpropanamide?
The canonical SMILES for 3-(1,3-oxazol-4-yl)-N-pentylpropanamide is CCCCCNC(=O)CCc1cocn1.
What is the InChIKey of 3-(1,3-oxazol-4-yl)-N-pentylpropanamide?
The InChIKey is YTVQNAKNXAEEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-3-4-7-12-11(14)6-5-10-8-15-9-13-10/h8-9H,2-7H2,1H3,(H,12,14).
What are the key properties of 3-(1,3-oxazol-4-yl)-N-pentylpropanamide?
3-(1,3-oxazol-4-yl)-N-pentylpropanamide has a molecular weight of 210.28 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazol-4-yl)-N-pentylpropanamide is sourced from PubChem (CID 110679032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).