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

C19H16F3N3O2 — CID 2738200

IUPAC1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1onc(-c2ccccc2)c1CNC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3O2/c1-12-16(17(25-27-12)13-5-3-2-4-6-13)11-23-18(26)24-15-9-7-14(8-10-15)19(20,21)22/h2-10H,11H2,1H3,(H2,23,24,26)
InChIKeyAJKNDSFVCHTQTN-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.99
Rot. Bonds4

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

1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 2738200) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID2738200
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1onc(-c2ccccc2)c1CNC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3O2/c1-12-16(17(25-27-12)13-5-3-2-4-6-13)11-23-18(26)24-15-9-7-14(8-10-15)19(20,21)22/h2-10H,11H2,1H3,(H2,23,24,26)
InChIKeyAJKNDSFVCHTQTN-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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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 2738200) is 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea is Cc1onc(-c2ccccc2)c1CNC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is AJKNDSFVCHTQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-12-16(17(25-27-12)13-5-3-2-4-6-13)11-23-18(26)24-15-9-7-14(8-10-15)19(20,21)22/h2-10H,11H2,1H3,(H2,23,24,26).
What are the key properties of 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[4-(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-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 2738200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).