(3-phenyl-1,2,4-oxadiazol-5-yl)urea

C9H8N4O2 — CID 21536

IUPAC(3-phenyl-1,2,4-oxadiazol-5-yl)urea
SMILESNC(=O)Nc1nc(-c2ccccc2)no1
InChIInChI=1S/C9H8N4O2/c10-8(14)12-9-11-7(13-15-9)6-4-2-1-3-5-6/h1-5H,(H3,10,11,12,13,14)
InChIKeyLMIXYJYVSQYMNF-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.23
Rot. Bonds2

About (3-phenyl-1,2,4-oxadiazol-5-yl)urea

(3-phenyl-1,2,4-oxadiazol-5-yl)urea (PubChem CID 21536) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is (3-phenyl-1,2,4-oxadiazol-5-yl)urea.

Molecular Properties

Compound Name(3-phenyl-1,2,4-oxadiazol-5-yl)urea
PubChem CID21536
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name(3-phenyl-1,2,4-oxadiazol-5-yl)urea
SMILESNC(=O)Nc1nc(-c2ccccc2)no1
InChIInChI=1S/C9H8N4O2/c10-8(14)12-9-11-7(13-15-9)6-4-2-1-3-5-6/h1-5H,(H3,10,11,12,13,14)
InChIKeyLMIXYJYVSQYMNF-UHFFFAOYSA-N
XLogP1.23
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Butalamine
CID 30949
1,2,4-Oxadiazol-5-amine, 3-phenyl-
CID 77230
Phenylmethyloxadiazole
CID 98806
Sodium perchlorate hydrate
CID 270750
5-Ethenyl-3-phenyl-1,2,4-oxadiazole
CID 14373585
3-Phenyl-5-(propan-2-yl)-1,2,4-oxadiazole
CID 12710734
N-methyl-3-phenyl-1,2,4-oxadiazol-5-amine
CID 12728457
3-Phenyl-1,2,4-oxadiazole
CID 12260139
1-(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine
CID 4894507
Adrevil
CID 42078
3-Phenyl-1,2,4-oxadiazole-5-carbonitrile
CID 82412177
5-Chloro-3-phenyl-1,2,4-oxadiazole
CID 12728443

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)urea?
The IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)urea (CID 21536) is (3-phenyl-1,2,4-oxadiazol-5-yl)urea.
What is the SMILES notation for (3-phenyl-1,2,4-oxadiazol-5-yl)urea?
The canonical SMILES for (3-phenyl-1,2,4-oxadiazol-5-yl)urea is NC(=O)Nc1nc(-c2ccccc2)no1.
What is the InChIKey of (3-phenyl-1,2,4-oxadiazol-5-yl)urea?
The InChIKey is LMIXYJYVSQYMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c10-8(14)12-9-11-7(13-15-9)6-4-2-1-3-5-6/h1-5H,(H3,10,11,12,13,14).
What are the key properties of (3-phenyl-1,2,4-oxadiazol-5-yl)urea?
(3-phenyl-1,2,4-oxadiazol-5-yl)urea has a molecular weight of 204.19 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2,4-oxadiazol-5-yl)urea is sourced from PubChem (CID 21536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).