1-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

C24H18F3N3O2 — CID 73057718

IUPAC1-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1nc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c(-c2ccccc2)o1
InChIInChI=1S/C24H18F3N3O2/c1-15-28-21(22(32-15)17-6-3-2-4-7-17)16-10-12-19(13-11-16)29-23(31)30-20-9-5-8-18(14-20)24(25,26)27/h2-14H,1H3,(H2,29,30,31)
InChIKeyIOFFXBXPXGWUFG-UHFFFAOYSA-N
MW437.42 g/mol
LogP6.98
Rot. Bonds4

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

1-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 73057718) has the molecular formula C24H18F3N3O2 and a molecular weight of 437.42 g/mol. Its IUPAC name is 1-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID73057718
Molecular FormulaC24H18F3N3O2
Molecular Weight437.42 g/mol
Exact Mass437.14
IUPAC Name1-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1nc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c(-c2ccccc2)o1
InChIInChI=1S/C24H18F3N3O2/c1-15-28-21(22(32-15)17-6-3-2-4-7-17)16-10-12-19(13-11-16)29-23(31)30-20-9-5-8-18(14-20)24(25,26)27/h2-14H,1H3,(H2,29,30,31)
InChIKeyIOFFXBXPXGWUFG-UHFFFAOYSA-N
XLogP6.98
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.42
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134095686
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46381159
(2S)-3-methyl-2-[[5-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3-oxazole-2-carbonyl]amino]butanoic acid
CID 66572649
1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2421688
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 19712375
1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 978129
1-[4-[2-(1-hydroxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 68749284
1-dibenzofuran-2-yl-3-[3-(trifluoromethyl)phenyl]urea
CID 2421709
4-[5-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3,4-oxadiazol-2-yl]butanoic acid
CID 66610988
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 73057718) is 1-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is Cc1nc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c(-c2ccccc2)o1.
What is the InChIKey of 1-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is IOFFXBXPXGWUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2/c1-15-28-21(22(32-15)17-6-3-2-4-7-17)16-10-12-19(13-11-16)29-23(31)30-20-9-5-8-18(14-20)24(25,26)27/h2-14H,1H3,(H2,29,30,31).
What are the key properties of 1-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 437.42 g/mol, XLogP of 6.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 73057718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).