5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide

C11H17BrN2O2 — CID 106388099

IUPAC5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
SMILESCc1cnc(C(C)NC(=O)CCCCBr)o1
InChIInChI=1S/C11H17BrN2O2/c1-8-7-13-11(16-8)9(2)14-10(15)5-3-4-6-12/h7,9H,3-6H2,1-2H3,(H,14,15)
InChIKeyQPZSECKXUCPRRE-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.73
Rot. Bonds6

About 5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide

5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide (PubChem CID 106388099) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
PubChem CID106388099
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
SMILESCc1cnc(C(C)NC(=O)CCCCBr)o1
InChIInChI=1S/C11H17BrN2O2/c1-8-7-13-11(16-8)9(2)14-10(15)5-3-4-6-12/h7,9H,3-6H2,1-2H3,(H,14,15)
InChIKeyQPZSECKXUCPRRE-UHFFFAOYSA-N
XLogP2.73
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 106387752
6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid
CID 106388731
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070
2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 104920659
3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide
CID 106388530
4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide
CID 106388297
3-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 106388299
3-(4-aminophenoxy)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106387462
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-piperidin-4-ylpropanamide
CID 106388288
2-anilino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 106388442
2-(1-aminocyclobutyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 106388275
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388094

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide?
The IUPAC name of 5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide (CID 106388099) is 5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide?
The canonical SMILES for 5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide is Cc1cnc(C(C)NC(=O)CCCCBr)o1.
What is the InChIKey of 5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide?
The InChIKey is QPZSECKXUCPRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-8-7-13-11(16-8)9(2)14-10(15)5-3-4-6-12/h7,9H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide?
5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide has a molecular weight of 289.17 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide is sourced from PubChem (CID 106388099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).