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

C19H16F3N3O2 — CID 20955623

IUPAC1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCc1oc(-c2ccccc2)nc1CNC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F3N3O2/c1-12-16(24-17(27-12)13-7-3-2-4-8-13)11-23-18(26)25-15-10-6-5-9-14(15)19(20,21)22/h2-10H,11H2,1H3,(H2,23,25,26)
InChIKeyCUJMRFYPACKQDG-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.99
Rot. Bonds4

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

1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 20955623) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID20955623
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCc1oc(-c2ccccc2)nc1CNC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F3N3O2/c1-12-16(24-17(27-12)13-7-3-2-4-8-13)11-23-18(26)25-15-10-6-5-9-14(15)19(20,21)22/h2-10H,11H2,1H3,(H2,23,25,26)
InChIKeyCUJMRFYPACKQDG-UHFFFAOYSA-N
XLogP4.99
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]urea
CID 56823586
1-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea
CID 46344167
N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]oxirane-2-carboxamide
CID 154880217
1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 20955580
1-[(5-methyl-1,2-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 119101576
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86776642
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 30371615
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-naphthalen-1-ylacetamide
CID 16614398
1-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122322429
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 55737450
2-methyl-5-phenyl-N-[2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 16650690
1-(4-ethoxyphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 20955528

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 20955623) is 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea is Cc1oc(-c2ccccc2)nc1CNC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is CUJMRFYPACKQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-12-16(24-17(27-12)13-7-3-2-4-8-13)11-23-18(26)25-15-10-6-5-9-14(15)19(20,21)22/h2-10H,11H2,1H3,(H2,23,25,26).
What are the key properties of 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 375.35 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 20955623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).