N-[2-(4-methylsulfanylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

C17H16N2O2S2 — CID 46347121

IUPACN-[2-(4-methylsulfanylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCSc1ccc(CCNC(=O)c2ncoc2-c2cccs2)cc1
InChIInChI=1S/C17H16N2O2S2/c1-22-13-6-4-12(5-7-13)8-9-18-17(20)15-16(21-11-19-15)14-3-2-10-23-14/h2-7,10-11H,8-9H2,1H3,(H,18,20)
InChIKeyZNHNTPLOXKARFJ-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.10
Rot. Bonds6

About N-[2-(4-methylsulfanylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-[2-(4-methylsulfanylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 46347121) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[2-(4-methylsulfanylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylsulfanylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID46347121
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC NameN-[2-(4-methylsulfanylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCSc1ccc(CCNC(=O)c2ncoc2-c2cccs2)cc1
InChIInChI=1S/C17H16N2O2S2/c1-22-13-6-4-12(5-7-13)8-9-18-17(20)15-16(21-11-19-15)14-3-2-10-23-14/h2-7,10-11H,8-9H2,1H3,(H,18,20)
InChIKeyZNHNTPLOXKARFJ-UHFFFAOYSA-N
XLogP4.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 20963749
N-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 19768665
N-(3-fluoro-4-methylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 46347104
N-(3-ethylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 46347103
N-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 20963618
5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963803
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46093965
3-(4-methylsulfanylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 91625780
N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 110790560
1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 115169381
N-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 75467874
N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 97079001

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfanylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(4-methylsulfanylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 46347121) is N-[2-(4-methylsulfanylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methylsulfanylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methylsulfanylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is CSc1ccc(CCNC(=O)c2ncoc2-c2cccs2)cc1.
What is the InChIKey of N-[2-(4-methylsulfanylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is ZNHNTPLOXKARFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-22-13-6-4-12(5-7-13)8-9-18-17(20)15-16(21-11-19-15)14-3-2-10-23-14/h2-7,10-11H,8-9H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-methylsulfanylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-[2-(4-methylsulfanylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylsulfanylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46347121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).