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

C22H20N4O3S — CID 71800653

IUPAC1-(2-ethoxyphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
SMILESCCOc1ccccc1NC(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C22H20N4O3S/c1-2-28-18-11-6-5-10-17(18)24-22(27)23-16-9-4-3-8-15(16)14-20-25-21(26-29-20)19-12-7-13-30-19/h3-13H,2,14H2,1H3,(H2,23,24,27)
InChIKeyDZIOBZDOCBMDQA-UHFFFAOYSA-N
MW420.49 g/mol
LogP5.43
Rot. Bonds7

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

1-(2-ethoxyphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea (PubChem CID 71800653) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
PubChem CID71800653
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name1-(2-ethoxyphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
SMILESCCOc1ccccc1NC(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C22H20N4O3S/c1-2-28-18-11-6-5-10-17(18)24-22(27)23-16-9-4-3-8-15(16)14-20-25-21(26-29-20)19-12-7-13-30-19/h3-13H,2,14H2,1H3,(H2,23,24,27)
InChIKeyDZIOBZDOCBMDQA-UHFFFAOYSA-N
XLogP5.43
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-ethoxyphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea with MolForge

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Related Compounds

N-(4-{5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)thiophene-2-carboxamide
CID 4625323
N-(4-{5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)thiophene-2-carboxamide
CID 4625326
N-hydroxy-4-[[2-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]methyl]benzamide
CID 135358405
N-(2-methoxyphenyl)-3-(3-thien-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 3240224
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
CID 1291767
2-((4-fluorophenyl)thio)-N-(2-((3-(furan-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)acetamide
CID 71800589
2-(2-fluorophenoxy)-N-(2-((3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)acetamide
CID 71800626
4-methoxy-N-methyl-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide
CID 71857355
4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide
CID 71857356
N-(2-methoxy-5-methylphenyl)-2-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}acetamide
CID 49664535
N-(2-Methoxyphenyl)-2-{4-[3-(thiophen-2-YL)-1,2,4-oxadiazol-5-YL]piperidin-1-YL}acetamide
CID 53152386
N-(2-((3-(furan-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)-2-(methylthio)benzamide
CID 71800585

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea (CID 71800653) is 1-(2-ethoxyphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea is CCOc1ccccc1NC(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
The InChIKey is DZIOBZDOCBMDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-2-28-18-11-6-5-10-17(18)24-22(27)23-16-9-4-3-8-15(16)14-20-25-21(26-29-20)19-12-7-13-30-19/h3-13H,2,14H2,1H3,(H2,23,24,27).
What are the key properties of 1-(2-ethoxyphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
1-(2-ethoxyphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea has a molecular weight of 420.49 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea is sourced from PubChem (CID 71800653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).