N-(2,2-difluoro-3-hydroxypropyl)-3-phenyl-2,1-benzoxazole-5-carboxamide

C17H14F2N2O3 — CID 86796098

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(NCC(F)(F)CO)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C17H14F2N2O3/c18-17(19,10-22)9-20-16(23)12-6-7-14-13(8-12)15(24-21-14)11-4-2-1-3-5-11/h1-8,22H,9-10H2,(H,20,23)
InChIKeyUIKFJBFPBYWGED-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.85
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-3-phenyl-2,1-benzoxazole-5-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 86796098) has the molecular formula C17H14F2N2O3 and a molecular weight of 332.31 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID86796098
Molecular FormulaC17H14F2N2O3
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(NCC(F)(F)CO)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C17H14F2N2O3/c18-17(19,10-22)9-20-16(23)12-6-7-14-13(8-12)15(24-21-14)11-4-2-1-3-5-11/h1-8,22H,9-10H2,(H,20,23)
InChIKeyUIKFJBFPBYWGED-UHFFFAOYSA-N
XLogP2.85
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 86796098) is N-(2,2-difluoro-3-hydroxypropyl)-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3-phenyl-2,1-benzoxazole-5-carboxamide is O=C(NCC(F)(F)CO)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is UIKFJBFPBYWGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3/c18-17(19,10-22)9-20-16(23)12-6-7-14-13(8-12)15(24-21-14)11-4-2-1-3-5-11/h1-8,22H,9-10H2,(H,20,23).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 332.31 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 86796098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).