1-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-3-(2,2,2-trifluoroethyl)urea

C19H16F3N3O2 — CID 141295939

IUPAC1-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)c1NC(=O)NCC(F)(F)F
InChIInChI=1S/C19H16F3N3O2/c1-12-16(24-18(26)23-11-19(20,21)22)17(27-25-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,23,24,26)
InChIKeyGSHVQXVPIOALPT-UHFFFAOYSA-N
MW375.35 g/mol
LogP5.00
Rot. Bonds4

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

1-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 141295939) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 1-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID141295939
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name1-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)c1NC(=O)NCC(F)(F)F
InChIInChI=1S/C19H16F3N3O2/c1-12-16(24-18(26)23-11-19(20,21)22)17(27-25-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,23,24,26)
InChIKeyGSHVQXVPIOALPT-UHFFFAOYSA-N
XLogP5.00
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.35
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-3-(2,2,2-trifluoroethyl)urea (CID 141295939) is 1-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-3-(2,2,2-trifluoroethyl)urea is Cc1noc(-c2ccc(-c3ccccc3)cc2)c1NC(=O)NCC(F)(F)F.
What is the InChIKey of 1-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is GSHVQXVPIOALPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-12-16(24-18(26)23-11-19(20,21)22)17(27-25-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,23,24,26).
What are the key properties of 1-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 375.35 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 141295939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).