N-[4-(difluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide

C11H8F2N2O3 — CID 8003050

IUPACN-[4-(difluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccno1
InChIInChI=1S/C11H8F2N2O3/c12-11(13)17-8-3-1-7(2-4-8)15-10(16)9-5-6-14-18-9/h1-6,11H,(H,15,16)
InChIKeyPVVHGSXUUCOBJP-UHFFFAOYSA-N
MW254.19 g/mol
LogP2.53
Rot. Bonds4

About N-[4-(difluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide

N-[4-(difluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 8003050) has the molecular formula C11H8F2N2O3 and a molecular weight of 254.19 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID8003050
Molecular FormulaC11H8F2N2O3
Molecular Weight254.19 g/mol
Exact Mass254.05
IUPAC NameN-[4-(difluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccno1
InChIInChI=1S/C11H8F2N2O3/c12-11(13)17-8-3-1-7(2-4-8)15-10(16)9-5-6-14-18-9/h1-6,11H,(H,15,16)
InChIKeyPVVHGSXUUCOBJP-UHFFFAOYSA-N
XLogP2.53
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide (CID 8003050) is N-[4-(difluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)c1ccno1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is PVVHGSXUUCOBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O3/c12-11(13)17-8-3-1-7(2-4-8)15-10(16)9-5-6-14-18-9/h1-6,11H,(H,15,16).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide?
N-[4-(difluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 254.19 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 8003050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).