3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide

C14H16N2O2S — CID 87046910

IUPAC3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
SMILESCCSCCC(=O)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C14H16N2O2S/c1-2-19-8-7-14(17)16-12-5-3-11(4-6-12)13-9-15-10-18-13/h3-6,9-10H,2,7-8H2,1H3,(H,16,17)
InChIKeyIFUXJZYTVNMACL-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.42
Rot. Bonds6

About 3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide

3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide (PubChem CID 87046910) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
PubChem CID87046910
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
SMILESCCSCCC(=O)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C14H16N2O2S/c1-2-19-8-7-14(17)16-12-5-3-11(4-6-12)13-9-15-10-18-13/h3-6,9-10H,2,7-8H2,1H3,(H,16,17)
InChIKeyIFUXJZYTVNMACL-UHFFFAOYSA-N
XLogP3.42
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid
CID 54866818
3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 78890099
4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide
CID 63307748
2-methoxy-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 60812605
6-amino-N-[4-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 60927435
2-(tert-butylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 78923690
N-[4-(1,3-oxazol-5-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79286058
2-(cyclopropylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 54862582
3-(2-ethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 87008242
2-(2-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 87008248
2,2-dimethyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 2806322
N-[4-(1,3-oxazol-5-yl)phenyl]-2-pyrazol-1-ylacetamide
CID 141085051

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide (CID 87046910) is 3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide is CCSCCC(=O)Nc1ccc(-c2cnco2)cc1.
What is the InChIKey of 3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide?
The InChIKey is IFUXJZYTVNMACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-19-8-7-14(17)16-12-5-3-11(4-6-12)13-9-15-10-18-13/h3-6,9-10H,2,7-8H2,1H3,(H,16,17).
What are the key properties of 3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide?
3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide has a molecular weight of 276.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 87046910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).