1-[4-[4-(2H-tetrazol-5-yl)phenoxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea

C21H21F3N6O3 — CID 71730152

IUPAC1-[4-[4-(2H-tetrazol-5-yl)phenoxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/C21H21F3N6O3/c22-21(23,24)33-18-11-5-15(6-12-18)26-20(31)25-14-3-9-17(10-4-14)32-16-7-1-13(2-8-16)19-27-29-30-28-19/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H2,25,26,31)(H,27,28,29,30)
InChIKeyRPPOXOYYABDZAM-UHFFFAOYSA-N
MW462.43 g/mol
LogP4.28
Rot. Bonds6

About 1-[4-[4-(2H-tetrazol-5-yl)phenoxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[4-[4-(2H-tetrazol-5-yl)phenoxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 71730152) has the molecular formula C21H21F3N6O3 and a molecular weight of 462.43 g/mol. Its IUPAC name is 1-[4-[4-(2H-tetrazol-5-yl)phenoxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[4-[4-(2H-tetrazol-5-yl)phenoxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID71730152
Molecular FormulaC21H21F3N6O3
Molecular Weight462.43 g/mol
Exact Mass462.16
IUPAC Name1-[4-[4-(2H-tetrazol-5-yl)phenoxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/C21H21F3N6O3/c22-21(23,24)33-18-11-5-15(6-12-18)26-20(31)25-14-3-9-17(10-4-14)32-16-7-1-13(2-8-16)19-27-29-30-28-19/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H2,25,26,31)(H,27,28,29,30)
InChIKeyRPPOXOYYABDZAM-UHFFFAOYSA-N
XLogP4.28
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.43
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-(2H-tetrazol-5-yl)phenoxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea with MolForge

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Related Compounds

N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 158293599
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzoate
CID 71730285
1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)anilino]urea
CID 59053948
1-(4-nitrosophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea
CID 144808234
2-[[6-[4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxyphenoxy]pyridine-3-carbonyl]amino]benzoic acid
CID 20602673
1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-fluorophenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
CID 162127990
1-[1-(2-iodoacetyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 68950094
1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 122660584
benzyl 4-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]oxybenzoate
CID 157304706
1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
CID 158421344
1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(2H-tetrazol-5-yl)-5,6-dihydroindol-2-yl]phenyl]urea
CID 70844666
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 46321383

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2H-tetrazol-5-yl)phenoxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[4-[4-(2H-tetrazol-5-yl)phenoxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 71730152) is 1-[4-[4-(2H-tetrazol-5-yl)phenoxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[4-[4-(2H-tetrazol-5-yl)phenoxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[4-[4-(2H-tetrazol-5-yl)phenoxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1.
What is the InChIKey of 1-[4-[4-(2H-tetrazol-5-yl)phenoxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is RPPOXOYYABDZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O3/c22-21(23,24)33-18-11-5-15(6-12-18)26-20(31)25-14-3-9-17(10-4-14)32-16-7-1-13(2-8-16)19-27-29-30-28-19/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H2,25,26,31)(H,27,28,29,30).
What are the key properties of 1-[4-[4-(2H-tetrazol-5-yl)phenoxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[4-[4-(2H-tetrazol-5-yl)phenoxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 462.43 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2H-tetrazol-5-yl)phenoxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 71730152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).