1-[4-(dimethylamino)phenyl]-3-(1,2-oxazol-5-yl)urea

C12H14N4O2 — CID 108814115

IUPAC1-[4-(dimethylamino)phenyl]-3-(1,2-oxazol-5-yl)urea
SMILESCN(C)c1ccc(NC(=O)Nc2ccno2)cc1
InChIInChI=1S/C12H14N4O2/c1-16(2)10-5-3-9(4-6-10)14-12(17)15-11-7-8-13-18-11/h3-8H,1-2H3,(H2,14,15,17)
InChIKeyAOFNDHWILCHAHN-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.38
Rot. Bonds3

About 1-[4-(dimethylamino)phenyl]-3-(1,2-oxazol-5-yl)urea

1-[4-(dimethylamino)phenyl]-3-(1,2-oxazol-5-yl)urea (PubChem CID 108814115) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-(1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-(1,2-oxazol-5-yl)urea
PubChem CID108814115
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-[4-(dimethylamino)phenyl]-3-(1,2-oxazol-5-yl)urea
SMILESCN(C)c1ccc(NC(=O)Nc2ccno2)cc1
InChIInChI=1S/C12H14N4O2/c1-16(2)10-5-3-9(4-6-10)14-12(17)15-11-7-8-13-18-11/h3-8H,1-2H3,(H2,14,15,17)
InChIKeyAOFNDHWILCHAHN-UHFFFAOYSA-N
XLogP2.38
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,2-oxazol-5-yl)urea
CID 108814112
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 43617199
1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
CID 5096263
1-(1,2-oxazol-5-yl)-3-(2,4,6-trimethylphenyl)urea
CID 108814001
1-[4-(dimethylamino)phenyl]-3-ethenylurea
CID 108909228
(2S)-2-[[4-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 78967872
1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea
CID 71414128
1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108894872
1-(2,1,3-benzothiadiazol-5-yl)-3-[4-(dimethylamino)phenyl]urea
CID 753189
N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide
CID 4195596

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(1,2-oxazol-5-yl)urea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(1,2-oxazol-5-yl)urea (CID 108814115) is 1-[4-(dimethylamino)phenyl]-3-(1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-(1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-(1,2-oxazol-5-yl)urea is CN(C)c1ccc(NC(=O)Nc2ccno2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-(1,2-oxazol-5-yl)urea?
The InChIKey is AOFNDHWILCHAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16(2)10-5-3-9(4-6-10)14-12(17)15-11-7-8-13-18-11/h3-8H,1-2H3,(H2,14,15,17).
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-(1,2-oxazol-5-yl)urea?
1-[4-(dimethylamino)phenyl]-3-(1,2-oxazol-5-yl)urea has a molecular weight of 246.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-(1,2-oxazol-5-yl)urea is sourced from PubChem (CID 108814115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).