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

C12H14N4O2 — CID 108811956

IUPAC1-[3-(dimethylamino)phenyl]-3-(1,2-oxazol-3-yl)urea
SMILESCN(C)c1cccc(NC(=O)Nc2ccon2)c1
InChIInChI=1S/C12H14N4O2/c1-16(2)10-5-3-4-9(8-10)13-12(17)14-11-6-7-18-15-11/h3-8H,1-2H3,(H2,13,14,15,17)
InChIKeyURBLTSJLXUPDHU-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.38
Rot. Bonds3

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

1-[3-(dimethylamino)phenyl]-3-(1,2-oxazol-3-yl)urea (PubChem CID 108811956) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-3-(1,2-oxazol-3-yl)urea
PubChem CID108811956
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-[3-(dimethylamino)phenyl]-3-(1,2-oxazol-3-yl)urea
SMILESCN(C)c1cccc(NC(=O)Nc2ccon2)c1
InChIInChI=1S/C12H14N4O2/c1-16(2)10-5-3-4-9(8-10)13-12(17)14-11-6-7-18-15-11/h3-8H,1-2H3,(H2,13,14,15,17)
InChIKeyURBLTSJLXUPDHU-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

Analyze 1-[3-(dimethylamino)phenyl]-3-(1,2-oxazol-3-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

1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811855
N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
CID 108884172
1-[3-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea
CID 108871519
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866355
1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885626
1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 6470703
1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea
CID 108909610
1-[3,5-bis(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea
CID 108811972
methyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate
CID 108811946
1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811787
1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea
CID 108896576

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-3-(1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-3-(1,2-oxazol-3-yl)urea (CID 108811956) is 1-[3-(dimethylamino)phenyl]-3-(1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-3-(1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-3-(1,2-oxazol-3-yl)urea is CN(C)c1cccc(NC(=O)Nc2ccon2)c1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-3-(1,2-oxazol-3-yl)urea?
The InChIKey is URBLTSJLXUPDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16(2)10-5-3-4-9(8-10)13-12(17)14-11-6-7-18-15-11/h3-8H,1-2H3,(H2,13,14,15,17).
What are the key properties of 1-[3-(dimethylamino)phenyl]-3-(1,2-oxazol-3-yl)urea?
1-[3-(dimethylamino)phenyl]-3-(1,2-oxazol-3-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-[3-(dimethylamino)phenyl]-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108811956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).