6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide

C10H15ClN2O2 — CID 2777055

IUPAC6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
SMILESCc1cc(NC(=O)CCCCCCl)no1
InChIInChI=1S/C10H15ClN2O2/c1-8-7-9(13-15-8)12-10(14)5-3-2-4-6-11/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyMARXXYSJJLWPCJ-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.72
Rot. Bonds6

About 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide

6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide (PubChem CID 2777055) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide.

Molecular Properties

Compound Name6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
PubChem CID2777055
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
SMILESCc1cc(NC(=O)CCCCCCl)no1
InChIInChI=1S/C10H15ClN2O2/c1-8-7-9(13-15-8)12-10(14)5-3-2-4-6-11/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyMARXXYSJJLWPCJ-UHFFFAOYSA-N
XLogP2.72
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.72
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'}

Analyze 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloropropyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108513695
4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 47246136
N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-ylpentanamide
CID 5234627
N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
CID 645214
1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812112
4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 28746271
5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopentanamide
CID 110429046
2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 43465797
N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 5121720
2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 63645461
3-(dimethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110343455
3-(cycloheptylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109031668

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide?
The IUPAC name of 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide (CID 2777055) is 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide.
What is the SMILES notation for 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide?
The canonical SMILES for 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide is Cc1cc(NC(=O)CCCCCCl)no1.
What is the InChIKey of 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide?
The InChIKey is MARXXYSJJLWPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-8-7-9(13-15-8)12-10(14)5-3-2-4-6-11/h7H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide?
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide has a molecular weight of 230.69 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide is sourced from PubChem (CID 2777055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).