1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea

C11H8N4O2 — CID 108811788

IUPAC1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea
SMILESN#Cc1ccccc1NC(=O)Nc1ccon1
InChIInChI=1S/C11H8N4O2/c12-7-8-3-1-2-4-9(8)13-11(16)14-10-5-6-17-15-10/h1-6H,(H2,13,14,15,16)
InChIKeyRTVZMDQUSUMVLP-UHFFFAOYSA-N
MW228.21 g/mol
LogP2.19
Rot. Bonds2

About 1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea

1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea (PubChem CID 108811788) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea
PubChem CID108811788
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea
SMILESN#Cc1ccccc1NC(=O)Nc1ccon1
InChIInChI=1S/C11H8N4O2/c12-7-8-3-1-2-4-9(8)13-11(16)14-10-5-6-17-15-10/h1-6H,(H2,13,14,15,16)
InChIKeyRTVZMDQUSUMVLP-UHFFFAOYSA-N
XLogP2.19
TPSA90.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyanophenyl)-3-(2-iodophenyl)urea
CID 108868891
1-(1,2-oxazol-3-yl)-3-(2-phenylsulfanylphenyl)urea
CID 108811852
2-[(2-cyanophenyl)carbamoylamino]benzoic acid
CID 61189461
1-(2-cyanophenyl)-3-(2-phenylphenyl)urea
CID 102229386
(2-cyanophenyl)urea
CID 13155570
4-cyano-N-(1,2-oxazol-3-yl)benzamide
CID 60660035
1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991418
1-(2,6-diethylphenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811838
4-[(2-cyanophenyl)carbamoylamino]benzoate
CID 7057070
2-iodo-N-(1,2-oxazol-3-ylcarbamoyl)acetamide
CID 14050947
N-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 84579053
1-(2-cyanophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896183

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea (CID 108811788) is 1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea is N#Cc1ccccc1NC(=O)Nc1ccon1.
What is the InChIKey of 1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea?
The InChIKey is RTVZMDQUSUMVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c12-7-8-3-1-2-4-9(8)13-11(16)14-10-5-6-17-15-10/h1-6H,(H2,13,14,15,16).
What are the key properties of 1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea?
1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea has a molecular weight of 228.21 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108811788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).