1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea

C20H16N4O2S — CID 100682947

IUPAC1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESO=C(NCc1noc(-c2cccs2)n1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16N4O2S/c25-20(21-14-18-22-19(26-23-18)17-12-7-13-27-17)24(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13H,14H2,(H,21,25)
InChIKeyMJXRUUNJUNUKAN-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.85
Rot. Bonds5

About 1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea

1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 100682947) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID100682947
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESO=C(NCc1noc(-c2cccs2)n1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16N4O2S/c25-20(21-14-18-22-19(26-23-18)17-12-7-13-27-17)24(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13H,14H2,(H,21,25)
InChIKeyMJXRUUNJUNUKAN-UHFFFAOYSA-N
XLogP4.85
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 50755903
2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
CID 50964431
3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51097703
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 50755689
6-chloro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 50755766
3,3,3-trifluoro-2-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid
CID 79791998
2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
CID 43631483
3-[propan-2-yl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
CID 60833768
4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid
CID 60809560
4-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide
CID 131911637
2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 131894083
(2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 131930539

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 100682947) is 1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea is O=C(NCc1noc(-c2cccs2)n1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is MJXRUUNJUNUKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c25-20(21-14-18-22-19(26-23-18)17-12-7-13-27-17)24(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13H,14H2,(H,21,25).
What are the key properties of 1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea?
1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 376.44 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 100682947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).