1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]ethylurea

C17H16N4O3 — CID 167970004

IUPAC1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]ethylurea
SMILESCC(NC(N)=O)c1noc(-c2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C17H16N4O3/c1-11(19-17(18)22)15-20-16(24-21-15)12-6-5-9-14(10-12)23-13-7-3-2-4-8-13/h2-11H,1H3,(H3,18,19,22)
InChIKeyCGGNOSDZYYYRBX-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.26
Rot. Bonds5

About 1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]ethylurea

1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]ethylurea (PubChem CID 167970004) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]ethylurea.

Molecular Properties

Compound Name1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]ethylurea
PubChem CID167970004
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]ethylurea
SMILESCC(NC(N)=O)c1noc(-c2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C17H16N4O3/c1-11(19-17(18)22)15-20-16(24-21-15)12-6-5-9-14(10-12)23-13-7-3-2-4-8-13/h2-11H,1H3,(H3,18,19,22)
InChIKeyCGGNOSDZYYYRBX-UHFFFAOYSA-N
XLogP3.26
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride
CID 119340920
3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 119340919
3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride
CID 120502036
3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 122006749
1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326230
N-(2-methylphenyl)-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266701
2,2-dimethyl-1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62920689
1-[3-(3-phenoxyphenyl)-1,2-oxazol-5-yl]ethanamine
CID 114420236
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 95740885
N,N-dimethyl-1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 56720297
(3E)-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 166387191
2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propanoic acid
CID 84695450

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]ethylurea?
The IUPAC name of 1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]ethylurea (CID 167970004) is 1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]ethylurea.
What is the SMILES notation for 1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]ethylurea?
The canonical SMILES for 1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]ethylurea is CC(NC(N)=O)c1noc(-c2cccc(Oc3ccccc3)c2)n1.
What is the InChIKey of 1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]ethylurea?
The InChIKey is CGGNOSDZYYYRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-11(19-17(18)22)15-20-16(24-21-15)12-6-5-9-14(10-12)23-13-7-3-2-4-8-13/h2-11H,1H3,(H3,18,19,22).
What are the key properties of 1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]ethylurea?
1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]ethylurea has a molecular weight of 324.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]ethylurea is sourced from PubChem (CID 167970004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).