6-(1,2-oxazol-3-yl)hexanamide

C9H14N2O2 — CID 90927084

IUPAC6-(1,2-oxazol-3-yl)hexanamide
SMILESNC(=O)CCCCCc1ccon1
InChIInChI=1S/C9H14N2O2/c10-9(12)5-3-1-2-4-8-6-7-13-11-8/h6-7H,1-5H2,(H2,10,12)
InChIKeyXRDDTTYSCLPYCU-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.26
Rot. Bonds6

About 6-(1,2-oxazol-3-yl)hexanamide

6-(1,2-oxazol-3-yl)hexanamide (PubChem CID 90927084) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 6-(1,2-oxazol-3-yl)hexanamide.

Molecular Properties

Compound Name6-(1,2-oxazol-3-yl)hexanamide
PubChem CID90927084
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name6-(1,2-oxazol-3-yl)hexanamide
SMILESNC(=O)CCCCCc1ccon1
InChIInChI=1S/C9H14N2O2/c10-9(12)5-3-1-2-4-8-6-7-13-11-8/h6-7H,1-5H2,(H2,10,12)
InChIKeyXRDDTTYSCLPYCU-UHFFFAOYSA-N
XLogP1.26
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.26
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

5-(1,2-oxazol-3-yl)pentanoic acid
CID 174347954
4-(1,2-oxazol-3-yl)butan-1-amine
CID 22024725
18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
CID 66765992
dodecanediamide;nonanediamide
CID 175017820
nonatetracontanediamide
CID 162734608
docosanediamide;hexacosanediamide
CID 129179979
pentadecanediamide
CID 87429217
N-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide
CID 54041905
28-[3-(28-amino-28-oxooctacosyl)phenyl]octacosanamide
CID 139913046
11-(4-fluorophenyl)undecanamide
CID 144640590
3-(1,2-oxazol-3-yl)-N-(2H-triazol-4-yl)propanamide
CID 154867618
copper;tridecanediamide
CID 159780260

Frequently Asked Questions

What is the IUPAC name of 6-(1,2-oxazol-3-yl)hexanamide?
The IUPAC name of 6-(1,2-oxazol-3-yl)hexanamide (CID 90927084) is 6-(1,2-oxazol-3-yl)hexanamide.
What is the SMILES notation for 6-(1,2-oxazol-3-yl)hexanamide?
The canonical SMILES for 6-(1,2-oxazol-3-yl)hexanamide is NC(=O)CCCCCc1ccon1.
What is the InChIKey of 6-(1,2-oxazol-3-yl)hexanamide?
The InChIKey is XRDDTTYSCLPYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-9(12)5-3-1-2-4-8-6-7-13-11-8/h6-7H,1-5H2,(H2,10,12).
What are the key properties of 6-(1,2-oxazol-3-yl)hexanamide?
6-(1,2-oxazol-3-yl)hexanamide has a molecular weight of 182.22 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-oxazol-3-yl)hexanamide is sourced from PubChem (CID 90927084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).