1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

C20H20N4O2 — CID 50777725

IUPAC1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESCc1nc(-c2cccc(NC(=O)Nc3cccc4c3CCCC4)c2)no1
InChIInChI=1S/C20H20N4O2/c1-13-21-19(24-26-13)15-8-4-9-16(12-15)22-20(25)23-18-11-5-7-14-6-2-3-10-17(14)18/h4-5,7-9,11-12H,2-3,6,10H2,1H3,(H2,22,23,25)
InChIKeyBGVBUXBAORZYFE-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.57
Rot. Bonds3

About 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 50777725) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID50777725
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESCc1nc(-c2cccc(NC(=O)Nc3cccc4c3CCCC4)c2)no1
InChIInChI=1S/C20H20N4O2/c1-13-21-19(24-26-13)15-8-4-9-16(12-15)22-20(25)23-18-11-5-7-14-6-2-3-10-17(14)18/h4-5,7-9,11-12H,2-3,6,10H2,1H3,(H2,22,23,25)
InChIKeyBGVBUXBAORZYFE-UHFFFAOYSA-N
XLogP4.57
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-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-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46361374
N-[4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 50777698
1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46321521
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 50778293
1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 51488466
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea
CID 97008880
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide
CID 53013614
1-(3-chloro-4-methoxyphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50777590
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 167836300
1-(2-ethyl-2-hydroxybutyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 111103701
3-amino-N-[3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)phenyl]propanamide
CID 119321592
4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674434

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 50777725) is 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is Cc1nc(-c2cccc(NC(=O)Nc3cccc4c3CCCC4)c2)no1.
What is the InChIKey of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is BGVBUXBAORZYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-21-19(24-26-13)15-8-4-9-16(12-15)22-20(25)23-18-11-5-7-14-6-2-3-10-17(14)18/h4-5,7-9,11-12H,2-3,6,10H2,1H3,(H2,22,23,25).
What are the key properties of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 348.41 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 50777725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).