N-(2-methylsulfanylphenyl)-5-propyl-1,2-oxazole-3-carboxamide

C14H16N2O2S — CID 5307918

IUPACN-(2-methylsulfanylphenyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccccc2SC)no1
InChIInChI=1S/C14H16N2O2S/c1-3-6-10-9-12(16-18-10)14(17)15-11-7-4-5-8-13(11)19-2/h4-5,7-9H,3,6H2,1-2H3,(H,15,17)
InChIKeyWUNROTRAZZYREW-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.60
Rot. Bonds5

About N-(2-methylsulfanylphenyl)-5-propyl-1,2-oxazole-3-carboxamide

N-(2-methylsulfanylphenyl)-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 5307918) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID5307918
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(2-methylsulfanylphenyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccccc2SC)no1
InChIInChI=1S/C14H16N2O2S/c1-3-6-10-9-12(16-18-10)14(17)15-11-7-4-5-8-13(11)19-2/h4-5,7-9H,3,6H2,1-2H3,(H,15,17)
InChIKeyWUNROTRAZZYREW-UHFFFAOYSA-N
XLogP3.60
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3337764
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CID 2744550
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CID 1247789
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CID 3238292
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CID 5307380
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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-5-propyl-1,2-oxazole-3-carboxamide (CID 5307918) is N-(2-methylsulfanylphenyl)-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)Nc2ccccc2SC)no1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is WUNROTRAZZYREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-6-10-9-12(16-18-10)14(17)15-11-7-4-5-8-13(11)19-2/h4-5,7-9H,3,6H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methylsulfanylphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
N-(2-methylsulfanylphenyl)-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5307918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).