N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]-4-(trifluoromethyl)benzamide

C18H12F3N3O3 — CID 2806315

IUPACN-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C18H12F3N3O3/c19-18(20,21)13-5-1-12(2-6-13)16(25)24-17(26)23-14-7-3-11(4-8-14)15-9-22-10-27-15/h1-10H,(H2,23,24,25,26)
InChIKeyVAPUDCXDADKQGX-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.32
Rot. Bonds3

About N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]-4-(trifluoromethyl)benzamide

N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]-4-(trifluoromethyl)benzamide (PubChem CID 2806315) has the molecular formula C18H12F3N3O3 and a molecular weight of 375.31 g/mol. Its IUPAC name is N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]-4-(trifluoromethyl)benzamide
PubChem CID2806315
Molecular FormulaC18H12F3N3O3
Molecular Weight375.31 g/mol
Exact Mass375.08
IUPAC NameN-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C18H12F3N3O3/c19-18(20,21)13-5-1-12(2-6-13)16(25)24-17(26)23-14-7-3-11(4-8-14)15-9-22-10-27-15/h1-10H,(H2,23,24,25,26)
InChIKeyVAPUDCXDADKQGX-UHFFFAOYSA-N
XLogP4.32
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]-4-(trifluoromethyl)benzamide (CID 2806315) is N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]-4-(trifluoromethyl)benzamide is O=C(NC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(-c2cnco2)cc1.
What is the InChIKey of N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]-4-(trifluoromethyl)benzamide?
The InChIKey is VAPUDCXDADKQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O3/c19-18(20,21)13-5-1-12(2-6-13)16(25)24-17(26)23-14-7-3-11(4-8-14)15-9-22-10-27-15/h1-10H,(H2,23,24,25,26).
What are the key properties of N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]-4-(trifluoromethyl)benzamide?
N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]-4-(trifluoromethyl)benzamide has a molecular weight of 375.31 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 2806315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).