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

C17H18N4O2S — CID 90607747

IUPAC1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(3-phenylpropyl)urea
SMILESCc1noc(-c2sccc2NC(=O)NCCCc2ccccc2)n1
InChIInChI=1S/C17H18N4O2S/c1-12-19-16(23-21-12)15-14(9-11-24-15)20-17(22)18-10-5-8-13-6-3-2-4-7-13/h2-4,6-7,9,11H,5,8,10H2,1H3,(H2,18,20,22)
InChIKeyDCLJEPJXPCWJHC-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.86
Rot. Bonds6

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

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(3-phenylpropyl)urea (PubChem CID 90607747) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(3-phenylpropyl)urea
PubChem CID90607747
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(3-phenylpropyl)urea
SMILESCc1noc(-c2sccc2NC(=O)NCCCc2ccccc2)n1
InChIInChI=1S/C17H18N4O2S/c1-12-19-16(23-21-12)15-14(9-11-24-15)20-17(22)18-10-5-8-13-6-3-2-4-7-13/h2-4,6-7,9,11H,5,8,10H2,1H3,(H2,18,20,22)
InChIKeyDCLJEPJXPCWJHC-UHFFFAOYSA-N
XLogP3.86
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzhydryl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90607744
1-(4-chlorophenyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90607712
1-cyclohexyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90607709
3,4,5-triethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607611
1-(3-phenylpropyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563896
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)-1,3-thiazole-2-carboxamide
CID 53167416
1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea
CID 47148360
2,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide
CID 90607675
5-(furan-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,2-oxazole-3-carboxamide
CID 90607549
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(2-methoxyethyl)urea
CID 90608125
3-methyl-N-(3-phenylpropyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46096812
2-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]pyridine-3-carboxamide
CID 90607576

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(3-phenylpropyl)urea (CID 90607747) is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(3-phenylpropyl)urea is Cc1noc(-c2sccc2NC(=O)NCCCc2ccccc2)n1.
What is the InChIKey of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(3-phenylpropyl)urea?
The InChIKey is DCLJEPJXPCWJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12-19-16(23-21-12)15-14(9-11-24-15)20-17(22)18-10-5-8-13-6-3-2-4-7-13/h2-4,6-7,9,11H,5,8,10H2,1H3,(H2,18,20,22).
What are the key properties of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(3-phenylpropyl)urea?
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(3-phenylpropyl)urea has a molecular weight of 342.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 90607747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).