[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]urea

C9H8N4O3 — CID 71521221

IUPAC[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]urea
SMILESNC(=O)Nc1nnc(-c2cccc(O)c2)o1
InChIInChI=1S/C9H8N4O3/c10-8(15)11-9-13-12-7(16-9)5-2-1-3-6(14)4-5/h1-4,14H,(H3,10,11,13,15)
InChIKeyVIIFWIKXSBUTSN-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.93
Rot. Bonds2

About [5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]urea

[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]urea (PubChem CID 71521221) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is [5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]urea.

Molecular Properties

Compound Name[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]urea
PubChem CID71521221
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]urea
SMILESNC(=O)Nc1nnc(-c2cccc(O)c2)o1
InChIInChI=1S/C9H8N4O3/c10-8(15)11-9-13-12-7(16-9)5-2-1-3-6(14)4-5/h1-4,14H,(H3,10,11,13,15)
InChIKeyVIIFWIKXSBUTSN-UHFFFAOYSA-N
XLogP0.93
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-(3-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685435
4-[[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid
CID 110456418
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521216
3-[5-[(1,1-dioxothiolan-3-yl)amino]-1,3,4-oxadiazol-2-yl]phenol
CID 110456257
2-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16854752
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 16854750
3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol
CID 25054362
2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16854851
3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol
CID 62071460
3,5-dichloro-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972024
5-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 16854864
N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 170341324

Frequently Asked Questions

What is the IUPAC name of [5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]urea?
The IUPAC name of [5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]urea (CID 71521221) is [5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]urea.
What is the SMILES notation for [5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]urea?
The canonical SMILES for [5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]urea is NC(=O)Nc1nnc(-c2cccc(O)c2)o1.
What is the InChIKey of [5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]urea?
The InChIKey is VIIFWIKXSBUTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c10-8(15)11-9-13-12-7(16-9)5-2-1-3-6(14)4-5/h1-4,14H,(H3,10,11,13,15).
What are the key properties of [5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]urea?
[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]urea has a molecular weight of 220.19 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]urea is sourced from PubChem (CID 71521221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).