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

C14H11N5O2 — CID 155547749

IUPAC1-phenyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)urea
SMILESO=C(Nc1ccccc1)Nc1nnc(-c2cccnc2)o1
InChIInChI=1S/C14H11N5O2/c20-13(16-11-6-2-1-3-7-11)17-14-19-18-12(21-14)10-5-4-8-15-9-10/h1-9H,(H2,16,17,19,20)
InChIKeyWUSUAGWTYDFIBL-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.78
Rot. Bonds3

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

1-phenyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)urea (PubChem CID 155547749) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-phenyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)urea.

Molecular Properties

Compound Name1-phenyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)urea
PubChem CID155547749
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Name1-phenyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)urea
SMILESO=C(Nc1ccccc1)Nc1nnc(-c2cccnc2)o1
InChIInChI=1S/C14H11N5O2/c20-13(16-11-6-2-1-3-7-11)17-14-19-18-12(21-14)10-5-4-8-15-9-10/h1-9H,(H2,16,17,19,20)
InChIKeyWUSUAGWTYDFIBL-UHFFFAOYSA-N
XLogP2.78
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(propan-2-yl)phenyl]-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 15949471
5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644858
5-{4-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644860
N-(4-tert-butylphenyl)-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644872
N-(4-tert-butylphenyl)-5-{4-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644875
5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644879
5-{4-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644885
N-(3-methylphenyl)-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644889
3-methyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3397365
2-chloro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4058147
3-chloro-N-[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4226990
N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 7100780

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)urea?
The IUPAC name of 1-phenyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)urea (CID 155547749) is 1-phenyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)urea.
What is the SMILES notation for 1-phenyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)urea?
The canonical SMILES for 1-phenyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)urea is O=C(Nc1ccccc1)Nc1nnc(-c2cccnc2)o1.
What is the InChIKey of 1-phenyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)urea?
The InChIKey is WUSUAGWTYDFIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c20-13(16-11-6-2-1-3-7-11)17-14-19-18-12(21-14)10-5-4-8-15-9-10/h1-9H,(H2,16,17,19,20).
What are the key properties of 1-phenyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)urea?
1-phenyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)urea has a molecular weight of 281.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)urea is sourced from PubChem (CID 155547749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).