1-[(1R)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-(1,3-oxazol-2-yl)urea

C12H8F5N3O2 — CID 99705625

IUPAC1-[(1R)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-(1,3-oxazol-2-yl)urea
SMILESO=C(Nc1ncco1)N[C@H](c1c(F)cccc1F)C(F)(F)F
InChIInChI=1S/C12H8F5N3O2/c13-6-2-1-3-7(14)8(6)9(12(15,16)17)19-10(21)20-11-18-4-5-22-11/h1-5,9H,(H2,18,19,20,21)/t9-/m1/s1
InChIKeyRAGMOXUHGOZSIA-SECBINFHSA-N
MW321.21 g/mol
LogP3.38
Rot. Bonds3

About 1-[(1R)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-(1,3-oxazol-2-yl)urea

1-[(1R)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-(1,3-oxazol-2-yl)urea (PubChem CID 99705625) has the molecular formula C12H8F5N3O2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 1-[(1R)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-(1,3-oxazol-2-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-(1,3-oxazol-2-yl)urea
PubChem CID99705625
Molecular FormulaC12H8F5N3O2
Molecular Weight321.21 g/mol
Exact Mass321.05
IUPAC Name1-[(1R)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-(1,3-oxazol-2-yl)urea
SMILESO=C(Nc1ncco1)N[C@H](c1c(F)cccc1F)C(F)(F)F
InChIInChI=1S/C12H8F5N3O2/c13-6-2-1-3-7(14)8(6)9(12(15,16)17)19-10(21)20-11-18-4-5-22-11/h1-5,9H,(H2,18,19,20,21)/t9-/m1/s1
InChIKeyRAGMOXUHGOZSIA-SECBINFHSA-N
XLogP3.38
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-1,3-Oxazol-2-yl-N'-phenylcarbamimidic acid
CID 118568
Urea, 1-(2-oxazolyl)-3-(o-tolyl)-
CID 118851
1-Oxazol-2-yl-3-phenethyl-urea
CID 482071
1-(1,3-oxazol-2-yl)-3-[(1R)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea
CID 99706450
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine
CID 69715305
N-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine
CID 69715959
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine
CID 69717192
N-(1,3-oxazol-2-yl)propanamide;trifluoromethylbenzene
CID 70489067
4,4,4-trifluoro-N-(1,3-oxazol-2-yl)-3-phenylbutanamide
CID 70489070
CID 71549277
CID 71549277
2-(1,3-Oxazol-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
CID 78107873
1-N-[1-(3-tert-butylphenyl)cyclohexyl]-4-(3,5-difluorophenyl)-3-N-(1,3-oxazol-2-yl)butane-1,3-diamine
CID 91082295

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-(1,3-oxazol-2-yl)urea?
The IUPAC name of 1-[(1R)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-(1,3-oxazol-2-yl)urea (CID 99705625) is 1-[(1R)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-(1,3-oxazol-2-yl)urea.
What is the SMILES notation for 1-[(1R)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-(1,3-oxazol-2-yl)urea?
The canonical SMILES for 1-[(1R)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-(1,3-oxazol-2-yl)urea is O=C(Nc1ncco1)N[C@H](c1c(F)cccc1F)C(F)(F)F.
What is the InChIKey of 1-[(1R)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-(1,3-oxazol-2-yl)urea?
The InChIKey is RAGMOXUHGOZSIA-SECBINFHSA-N. The full InChI is InChI=1S/C12H8F5N3O2/c13-6-2-1-3-7(14)8(6)9(12(15,16)17)19-10(21)20-11-18-4-5-22-11/h1-5,9H,(H2,18,19,20,21)/t9-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-(1,3-oxazol-2-yl)urea?
1-[(1R)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-(1,3-oxazol-2-yl)urea has a molecular weight of 321.21 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-(1,3-oxazol-2-yl)urea is sourced from PubChem (CID 99705625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).