1-cyclopentyl-3-[2-(3-methyl-1,2-oxazol-5-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea

C26H25F6N3O4 — CID 23582339

IUPAC1-cyclopentyl-3-[2-(3-methyl-1,2-oxazol-5-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea
SMILESCc1cc(CC(NC(=O)NC2CCCC2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)on1
InChIInChI=1S/C26H25F6N3O4/c1-16-12-22(39-35-16)15-24(34-23(36)33-19-8-2-3-9-19,17-6-4-10-20(13-17)37-25(27,28)29)18-7-5-11-21(14-18)38-26(30,31)32/h4-7,10-14,19H,2-3,8-9,15H2,1H3,(H2,33,34,36)
InChIKeyARGFNSQLYBOQQP-UHFFFAOYSA-N
MW557.49 g/mol
LogP6.51
Rot. Bonds8

About 1-cyclopentyl-3-[2-(3-methyl-1,2-oxazol-5-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea

1-cyclopentyl-3-[2-(3-methyl-1,2-oxazol-5-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea (PubChem CID 23582339) has the molecular formula C26H25F6N3O4 and a molecular weight of 557.49 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(3-methyl-1,2-oxazol-5-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(3-methyl-1,2-oxazol-5-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea
PubChem CID23582339
Molecular FormulaC26H25F6N3O4
Molecular Weight557.49 g/mol
Exact Mass557.17
IUPAC Name1-cyclopentyl-3-[2-(3-methyl-1,2-oxazol-5-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea
SMILESCc1cc(CC(NC(=O)NC2CCCC2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)on1
InChIInChI=1S/C26H25F6N3O4/c1-16-12-22(39-35-16)15-24(34-23(36)33-19-8-2-3-9-19,17-6-4-10-20(13-17)37-25(27,28)29)18-7-5-11-21(14-18)38-26(30,31)32/h4-7,10-14,19H,2-3,8-9,15H2,1H3,(H2,33,34,36)
InChIKeyARGFNSQLYBOQQP-UHFFFAOYSA-N
XLogP6.51
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.49
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-cyclopentyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea
CID 23582398
1-cyclopentyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(3-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]ethyl]urea
CID 71128001
1-[2-cyano-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-cyclopentylurea
CID 59459215
2-[4-[2-(cyclopentylcarbamoylamino)-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]acetic acid
CID 59458652
1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea
CID 59192651
1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-cyclopentylurea
CID 58920659
2-(3-methyl-1,2-oxazol-5-yl)-1-(3-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 71128000
1-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]-3-cyclopentylurea
CID 58920821
1-cyclopentyl-3-[(1R)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethyl]urea
CID 59458372
1-cyclopentyl-3-[2-(4-hydroxyphenyl)-1,1-bis(3-methylphenyl)ethyl]urea
CID 71128049
1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-(difluoromethoxy)phenyl]-2-phenylethyl]-3-cyclopentylurea
CID 58921131
1-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 59458509

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(3-methyl-1,2-oxazol-5-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(3-methyl-1,2-oxazol-5-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea (CID 23582339) is 1-cyclopentyl-3-[2-(3-methyl-1,2-oxazol-5-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(3-methyl-1,2-oxazol-5-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(3-methyl-1,2-oxazol-5-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea is Cc1cc(CC(NC(=O)NC2CCCC2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)on1.
What is the InChIKey of 1-cyclopentyl-3-[2-(3-methyl-1,2-oxazol-5-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea?
The InChIKey is ARGFNSQLYBOQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F6N3O4/c1-16-12-22(39-35-16)15-24(34-23(36)33-19-8-2-3-9-19,17-6-4-10-20(13-17)37-25(27,28)29)18-7-5-11-21(14-18)38-26(30,31)32/h4-7,10-14,19H,2-3,8-9,15H2,1H3,(H2,33,34,36).
What are the key properties of 1-cyclopentyl-3-[2-(3-methyl-1,2-oxazol-5-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea?
1-cyclopentyl-3-[2-(3-methyl-1,2-oxazol-5-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea has a molecular weight of 557.49 g/mol, XLogP of 6.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(3-methyl-1,2-oxazol-5-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea is sourced from PubChem (CID 23582339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).