[(1S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]urea

C16H16N4O3S — CID 95763183

IUPAC[(1S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]urea
SMILESCOc1ccc(-c2noc(C[C@H](NC(N)=O)c3cccs3)n2)cc1
InChIInChI=1S/C16H16N4O3S/c1-22-11-6-4-10(5-7-11)15-19-14(23-20-15)9-12(18-16(17)21)13-3-2-8-24-13/h2-8,12H,9H2,1H3,(H3,17,18,21)/t12-/m0/s1
InChIKeyCRZOHCLKWLYWSB-LBPRGKRZSA-N
MW344.40 g/mol
LogP2.76
Rot. Bonds6

About [(1S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]urea

[(1S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]urea (PubChem CID 95763183) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is [(1S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name[(1S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]urea
PubChem CID95763183
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name[(1S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]urea
SMILESCOc1ccc(-c2noc(C[C@H](NC(N)=O)c3cccs3)n2)cc1
InChIInChI=1S/C16H16N4O3S/c1-22-11-6-4-10(5-7-11)15-19-14(23-20-15)9-12(18-16(17)21)13-3-2-8-24-13/h2-8,12H,9H2,1H3,(H3,17,18,21)/t12-/m0/s1
InChIKeyCRZOHCLKWLYWSB-LBPRGKRZSA-N
XLogP2.76
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]urea with MolForge

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Related Compounds

[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-3-acetamido-3-thiophen-2-ylpropanoate
CID 42496838
2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81073319
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylurea
CID 8895828
ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474663
N-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18115498
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanethiol
CID 30028427
N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide
CID 120868060
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide;hydrochloride
CID 120862787
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 31110120
(2R)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-methylbutanoic acid
CID 119368338
1-cyclopropyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63345772
3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 46342115

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]urea?
The IUPAC name of [(1S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]urea (CID 95763183) is [(1S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]urea.
What is the SMILES notation for [(1S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]urea?
The canonical SMILES for [(1S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]urea is COc1ccc(-c2noc(C[C@H](NC(N)=O)c3cccs3)n2)cc1.
What is the InChIKey of [(1S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]urea?
The InChIKey is CRZOHCLKWLYWSB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-22-11-6-4-10(5-7-11)15-19-14(23-20-15)9-12(18-16(17)21)13-3-2-8-24-13/h2-8,12H,9H2,1H3,(H3,17,18,21)/t12-/m0/s1.
What are the key properties of [(1S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]urea?
[(1S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]urea has a molecular weight of 344.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]urea is sourced from PubChem (CID 95763183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).