3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide

C19H12FN3O2 — CID 2996567

IUPAC3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccc(F)c1
InChIInChI=1S/C19H12FN3O2/c20-14-5-1-3-12(9-14)18(24)22-15-6-7-17-16(10-15)23-19(25-17)13-4-2-8-21-11-13/h1-11H,(H,22,24)
InChIKeyWMVDTKXNNIALSO-UHFFFAOYSA-N
MW333.32 g/mol
LogP4.28
Rot. Bonds3

About 3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide

3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 2996567) has the molecular formula C19H12FN3O2 and a molecular weight of 333.32 g/mol. Its IUPAC name is 3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
PubChem CID2996567
Molecular FormulaC19H12FN3O2
Molecular Weight333.32 g/mol
Exact Mass333.09
IUPAC Name3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccc(F)c1
InChIInChI=1S/C19H12FN3O2/c20-14-5-1-3-12(9-14)18(24)22-15-6-7-17-16(10-15)23-19(25-17)13-4-2-8-21-11-13/h1-11H,(H,22,24)
InChIKeyWMVDTKXNNIALSO-UHFFFAOYSA-N
XLogP4.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 2217662
(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid
CID 175414286
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate
CID 21211890
4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 1397151
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide
CID 2268437
4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23960249
N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 1114177
4-chloro-3-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 1363694
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzamide
CID 1363898
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 743077
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 17127588

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide (CID 2996567) is 3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide is O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is WMVDTKXNNIALSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O2/c20-14-5-1-3-12(9-14)18(24)22-15-6-7-17-16(10-15)23-19(25-17)13-4-2-8-21-11-13/h1-11H,(H,22,24).
What are the key properties of 3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 333.32 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 2996567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).