N-[3-(1,3-oxazol-5-yl)propyl]acetamide

C8H12N2O2 — CID 143004057

IUPACN-[3-(1,3-oxazol-5-yl)propyl]acetamide
SMILESCC(=O)NCCCc1cnco1
InChIInChI=1S/C8H12N2O2/c1-7(11)10-4-2-3-8-5-9-6-12-8/h5-6H,2-4H2,1H3,(H,10,11)
InChIKeyGAURQWFMKBRKFE-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.74
Rot. Bonds4

About N-[3-(1,3-oxazol-5-yl)propyl]acetamide

N-[3-(1,3-oxazol-5-yl)propyl]acetamide (PubChem CID 143004057) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-[3-(1,3-oxazol-5-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(1,3-oxazol-5-yl)propyl]acetamide
PubChem CID143004057
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-[3-(1,3-oxazol-5-yl)propyl]acetamide
SMILESCC(=O)NCCCc1cnco1
InChIInChI=1S/C8H12N2O2/c1-7(11)10-4-2-3-8-5-9-6-12-8/h5-6H,2-4H2,1H3,(H,10,11)
InChIKeyGAURQWFMKBRKFE-UHFFFAOYSA-N
XLogP0.74
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.74
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-oxazol-5-yl)propyl]acetamide?
The IUPAC name of N-[3-(1,3-oxazol-5-yl)propyl]acetamide (CID 143004057) is N-[3-(1,3-oxazol-5-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(1,3-oxazol-5-yl)propyl]acetamide?
The canonical SMILES for N-[3-(1,3-oxazol-5-yl)propyl]acetamide is CC(=O)NCCCc1cnco1.
What is the InChIKey of N-[3-(1,3-oxazol-5-yl)propyl]acetamide?
The InChIKey is GAURQWFMKBRKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-7(11)10-4-2-3-8-5-9-6-12-8/h5-6H,2-4H2,1H3,(H,10,11).
What are the key properties of N-[3-(1,3-oxazol-5-yl)propyl]acetamide?
N-[3-(1,3-oxazol-5-yl)propyl]acetamide has a molecular weight of 168.20 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-oxazol-5-yl)propyl]acetamide is sourced from PubChem (CID 143004057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).