3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide

C18H13F3N2O3 — CID 71802504

IUPAC3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(OCc2ccccc2)no1
InChIInChI=1S/C18H13F3N2O3/c19-18(20,21)13-7-4-8-14(9-13)22-17(24)15-10-16(23-26-15)25-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,22,24)
InChIKeyPTJOCBDNYXNJOG-UHFFFAOYSA-N
MW362.31 g/mol
LogP4.52
Rot. Bonds5

About 3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide

3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 71802504) has the molecular formula C18H13F3N2O3 and a molecular weight of 362.31 g/mol. Its IUPAC name is 3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID71802504
Molecular FormulaC18H13F3N2O3
Molecular Weight362.31 g/mol
Exact Mass362.09
IUPAC Name3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(OCc2ccccc2)no1
InChIInChI=1S/C18H13F3N2O3/c19-18(20,21)13-7-4-8-14(9-13)22-17(24)15-10-16(23-26-15)25-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,22,24)
InChIKeyPTJOCBDNYXNJOG-UHFFFAOYSA-N
XLogP4.52
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide (CID 71802504) is 3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc(OCc2ccccc2)no1.
What is the InChIKey of 3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is PTJOCBDNYXNJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O3/c19-18(20,21)13-7-4-8-14(9-13)22-17(24)15-10-16(23-26-15)25-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,22,24).
What are the key properties of 3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide?
3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71802504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).