N-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide

C20H12F2N2O2 — CID 46350561

IUPACN-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc2noc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C20H12F2N2O2/c21-14-7-4-12(5-8-14)19-17-10-13(6-9-18(17)24-26-19)20(25)23-16-3-1-2-15(22)11-16/h1-11H,(H,23,25)
InChIKeyKDZMYEBGXMVDSH-UHFFFAOYSA-N
MW350.32 g/mol
LogP5.03
Rot. Bonds3

About N-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide

N-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide (PubChem CID 46350561) has the molecular formula C20H12F2N2O2 and a molecular weight of 350.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide
PubChem CID46350561
Molecular FormulaC20H12F2N2O2
Molecular Weight350.32 g/mol
Exact Mass350.09
IUPAC NameN-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc2noc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C20H12F2N2O2/c21-14-7-4-12(5-8-14)19-17-10-13(6-9-18(17)24-26-19)20(25)23-16-3-1-2-15(22)11-16/h1-11H,(H,23,25)
InChIKeyKDZMYEBGXMVDSH-UHFFFAOYSA-N
XLogP5.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.32
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide
CID 46350554
N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465233
N-(3-cyanophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9192548
3-(4-fluorophenyl)-N-methylsulfonyl-2,1-benzoxazole-5-carboxamide
CID 146154705
N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9191614
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9451735
N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122298037
3-(4-fluorophenyl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-2,1-benzoxazole-5-carboxamide
CID 154806744
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide
CID 46350545
3-(4-bromophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,1-benzoxazole-5-carboxamide
CID 16652021
N-(3-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17099097

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide (CID 46350561) is N-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide is O=C(Nc1cccc(F)c1)c1ccc2noc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of N-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide?
The InChIKey is KDZMYEBGXMVDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2O2/c21-14-7-4-12(5-8-14)19-17-10-13(6-9-18(17)24-26-19)20(25)23-16-3-1-2-15(22)11-16/h1-11H,(H,23,25).
What are the key properties of N-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide?
N-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide has a molecular weight of 350.32 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 46350561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).