1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea

C17H14F3N3O3 — CID 2795611

IUPAC1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C17H14F3N3O3/c18-17(19,20)26-14-7-5-13(6-8-14)23-16(24)22-12-3-1-11(2-4-12)15-21-9-10-25-15/h1-8H,9-10H2,(H2,22,23,24)
InChIKeyGBETXDQYKQPIHJ-UHFFFAOYSA-N
MW365.31 g/mol
LogP4.01
Rot. Bonds4

About 1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 2795611) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is 1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID2795611
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Name1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C17H14F3N3O3/c18-17(19,20)26-14-7-5-13(6-8-14)23-16(24)22-12-3-1-11(2-4-12)15-21-9-10-25-15/h1-8H,9-10H2,(H2,22,23,24)
InChIKeyGBETXDQYKQPIHJ-UHFFFAOYSA-N
XLogP4.01
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 71568254
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 46321383
2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbamoyl]benzoic acid
CID 122605301
1-(2-methoxypyrimidin-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122301480
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115565023
1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122356200
1-[2-(4-methylphenyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 71228197
N-[4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-1H-pyrrol-2-yl]acetamide
CID 141148209
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 11516527
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 25015279

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 2795611) is 1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(C2=NCCO2)cc1.
What is the InChIKey of 1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is GBETXDQYKQPIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c18-17(19,20)26-14-7-5-13(6-8-14)23-16(24)22-12-3-1-11(2-4-12)15-21-9-10-25-15/h1-8H,9-10H2,(H2,22,23,24).
What are the key properties of 1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 365.31 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 2795611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).