1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea

C17H19F3N4O2 — CID 97008880

IUPAC1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea
SMILESCc1nc(-c2cccc(NC(=O)N[C@@H]3CCCC[C@@H]3C(F)(F)F)c2)no1
InChIInChI=1S/C17H19F3N4O2/c1-10-21-15(24-26-10)11-5-4-6-12(9-11)22-16(25)23-14-8-3-2-7-13(14)17(18,19)20/h4-6,9,13-14H,2-3,7-8H2,1H3,(H2,22,23,25)/t13-,14+/m0/s1
InChIKeySJZGUUNYUHXGPF-UONOGXRCSA-N
MW368.36 g/mol
LogP4.29
Rot. Bonds3

About 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea

1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea (PubChem CID 97008880) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea
PubChem CID97008880
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea
SMILESCc1nc(-c2cccc(NC(=O)N[C@@H]3CCCC[C@@H]3C(F)(F)F)c2)no1
InChIInChI=1S/C17H19F3N4O2/c1-10-21-15(24-26-10)11-5-4-6-12(9-11)22-16(25)23-14-8-3-2-7-13(14)17(18,19)20/h4-6,9,13-14H,2-3,7-8H2,1H3,(H2,22,23,25)/t13-,14+/m0/s1
InChIKeySJZGUUNYUHXGPF-UONOGXRCSA-N
XLogP4.29
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea with MolForge

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Related Compounds

1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46321521
N-[4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 50777698
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 50777725
4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674434
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide
CID 53013614
N-cyclohexyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
CID 70002094
1-(2-ethyl-2-hydroxybutyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 111103701
1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46361374
1-propan-2-yl-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 54470353
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119741040
1-[2-(hydroxymethyl)cyclohexyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea
CID 111636920
1-(3-chloro-4-methoxyphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50777590

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea (CID 97008880) is 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea is Cc1nc(-c2cccc(NC(=O)N[C@@H]3CCCC[C@@H]3C(F)(F)F)c2)no1.
What is the InChIKey of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is SJZGUUNYUHXGPF-UONOGXRCSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-10-21-15(24-26-10)11-5-4-6-12(9-11)22-16(25)23-14-8-3-2-7-13(14)17(18,19)20/h4-6,9,13-14H,2-3,7-8H2,1H3,(H2,22,23,25)/t13-,14+/m0/s1.
What are the key properties of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea?
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 368.36 g/mol, XLogP of 4.29, 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-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 97008880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).