5-(2-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide

C18H17ClN2O3S — CID 46097174

IUPAC5-(2-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccccc2Cl)c1C(=O)NCCSCc1ccco1
InChIInChI=1S/C18H17ClN2O3S/c1-12-16(17(24-21-12)14-6-2-3-7-15(14)19)18(22)20-8-10-25-11-13-5-4-9-23-13/h2-7,9H,8,10-11H2,1H3,(H,20,22)
InChIKeyCKWAVXIYGDFUJW-UHFFFAOYSA-N
MW376.87 g/mol
LogP4.56
Rot. Bonds7

About 5-(2-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide

5-(2-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 46097174) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID46097174
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC Name5-(2-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccccc2Cl)c1C(=O)NCCSCc1ccco1
InChIInChI=1S/C18H17ClN2O3S/c1-12-16(17(24-21-12)14-6-2-3-7-15(14)19)18(22)20-8-10-25-11-13-5-4-9-23-13/h2-7,9H,8,10-11H2,1H3,(H,20,22)
InChIKeyCKWAVXIYGDFUJW-UHFFFAOYSA-N
XLogP4.56
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 46097141
5-(2-chlorophenyl)-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 46097190
5-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 92760842
5-(2-chlorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide
CID 46093851
ethyl 5-(2-chlorophenyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 141465693
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 5146775
2-(2-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide
CID 43909378
N-(2-benzylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46097230
N-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46096874
methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate
CID 5009139
2-(2,4-dimethylquinolin-3-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 18113732
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 46097174) is 5-(2-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1noc(-c2ccccc2Cl)c1C(=O)NCCSCc1ccco1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is CKWAVXIYGDFUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c1-12-16(17(24-21-12)14-6-2-3-7-15(14)19)18(22)20-8-10-25-11-13-5-4-9-23-13/h2-7,9H,8,10-11H2,1H3,(H,20,22).
What are the key properties of 5-(2-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
5-(2-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 376.87 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).