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

C17H18N4O2S — CID 92888676

IUPAC1-[(2R)-butan-2-yl]-3-[4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCC[C@@H](C)NC(=O)Nc1ccc(-c2noc(-c3ccsc3)n2)cc1
InChIInChI=1S/C17H18N4O2S/c1-3-11(2)18-17(22)19-14-6-4-12(5-7-14)15-20-16(23-21-15)13-8-9-24-10-13/h4-11H,3H2,1-2H3,(H2,18,19,22)/t11-/m1/s1
InChIKeyAZEBPVYGVILYHP-LLVKDONJSA-N
MW342.42 g/mol
LogP4.39
Rot. Bonds5

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

1-[(2R)-butan-2-yl]-3-[4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)phenyl]urea (PubChem CID 92888676) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-[4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3-[4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)phenyl]urea
PubChem CID92888676
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-[(2R)-butan-2-yl]-3-[4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCC[C@@H](C)NC(=O)Nc1ccc(-c2noc(-c3ccsc3)n2)cc1
InChIInChI=1S/C17H18N4O2S/c1-3-11(2)18-17(22)19-14-6-4-12(5-7-14)15-20-16(23-21-15)13-8-9-24-10-13/h4-11H,3H2,1-2H3,(H2,18,19,22)/t11-/m1/s1
InChIKeyAZEBPVYGVILYHP-LLVKDONJSA-N
XLogP4.39
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-butan-2-yl-3-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50778401
1-butan-2-yl-3-[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50778382
1-[(2S)-butan-2-yl]-3-[4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92888675
1-butan-2-yl-3-[4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50778238
1-[(2R)-butan-2-yl]-3-[4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92888716
1-[(2R)-butan-2-yl]-3-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92888694
1-[(2R)-butan-2-yl]-3-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92888759
1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778299
1-butan-2-yl-3-[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50777556
1-[(2R)-butan-2-yl]-3-[3-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92868277
1-(1-hydroxypropan-2-yl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 110933057
1-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778320

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-[4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The IUPAC name of 1-[(2R)-butan-2-yl]-3-[4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)phenyl]urea (CID 92888676) is 1-[(2R)-butan-2-yl]-3-[4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-[4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3-[4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)phenyl]urea is CC[C@@H](C)NC(=O)Nc1ccc(-c2noc(-c3ccsc3)n2)cc1.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3-[4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The InChIKey is AZEBPVYGVILYHP-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-3-11(2)18-17(22)19-14-6-4-12(5-7-14)15-20-16(23-21-15)13-8-9-24-10-13/h4-11H,3H2,1-2H3,(H2,18,19,22)/t11-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3-[4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)phenyl]urea?
1-[(2R)-butan-2-yl]-3-[4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)phenyl]urea has a molecular weight of 342.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-3-[4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)phenyl]urea is sourced from PubChem (CID 92888676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).