3-(4-fluorophenyl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-2,1-benzoxazole-5-carboxamide

C22H14FN5O2 — CID 154806744

IUPAC3-(4-fluorophenyl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-2,1-benzoxazole-5-carboxamide
SMILESO=C(Nc1cc(-c2cccnc2)[nH]n1)c1ccc2noc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C22H14FN5O2/c23-16-6-3-13(4-7-16)21-17-10-14(5-8-18(17)28-30-21)22(29)25-20-11-19(26-27-20)15-2-1-9-24-12-15/h1-12H,(H2,25,26,27,29)
InChIKeyNKSVYJARVIQIBW-UHFFFAOYSA-N
MW399.39 g/mol
LogP4.67
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-2,1-benzoxazole-5-carboxamide

3-(4-fluorophenyl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-2,1-benzoxazole-5-carboxamide (PubChem CID 154806744) has the molecular formula C22H14FN5O2 and a molecular weight of 399.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-2,1-benzoxazole-5-carboxamide
PubChem CID154806744
Molecular FormulaC22H14FN5O2
Molecular Weight399.39 g/mol
Exact Mass399.11
IUPAC Name3-(4-fluorophenyl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-2,1-benzoxazole-5-carboxamide
SMILESO=C(Nc1cc(-c2cccnc2)[nH]n1)c1ccc2noc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C22H14FN5O2/c23-16-6-3-13(4-7-16)21-17-10-14(5-8-18(17)28-30-21)22(29)25-20-11-19(26-27-20)15-2-1-9-24-12-15/h1-12H,(H2,25,26,27,29)
InChIKeyNKSVYJARVIQIBW-UHFFFAOYSA-N
XLogP4.67
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide
CID 46350561
N-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide
CID 46350554
N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24538064
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 140931669
3-(4-fluorophenyl)-N-methylsulfonyl-2,1-benzoxazole-5-carboxamide
CID 146154705
N-(5-pyridin-3-yl-1H-pyrazol-3-yl)acetamide
CID 137321038
N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122298037
3-phenyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2,1-benzoxazole-5-carboxamide
CID 36580090
N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methylquinoline-6-carboxamide
CID 166350451
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 60517332
4-fluoro-N-(2-pyridin-3-ylpyrimidin-5-yl)benzamide
CID 137419125
3-phenyl-N'-(pyridine-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide
CID 9033671

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-2,1-benzoxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-2,1-benzoxazole-5-carboxamide (CID 154806744) is 3-(4-fluorophenyl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-2,1-benzoxazole-5-carboxamide is O=C(Nc1cc(-c2cccnc2)[nH]n1)c1ccc2noc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-2,1-benzoxazole-5-carboxamide?
The InChIKey is NKSVYJARVIQIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN5O2/c23-16-6-3-13(4-7-16)21-17-10-14(5-8-18(17)28-30-21)22(29)25-20-11-19(26-27-20)15-2-1-9-24-12-15/h1-12H,(H2,25,26,27,29).
What are the key properties of 3-(4-fluorophenyl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-2,1-benzoxazole-5-carboxamide?
3-(4-fluorophenyl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-2,1-benzoxazole-5-carboxamide has a molecular weight of 399.39 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 154806744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).