N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide

C23H19FN2O3 — CID 2268437

IUPACN-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)c1
InChIInChI=1S/C23H19FN2O3/c1-2-11-28-19-8-4-5-15(13-19)22(27)25-18-9-10-21-20(14-18)26-23(29-21)16-6-3-7-17(24)12-16/h3-10,12-14H,2,11H2,1H3,(H,25,27)
InChIKeyKKFIWBLBDUDETR-UHFFFAOYSA-N
MW390.41 g/mol
LogP5.68
Rot. Bonds6

About N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide

N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide (PubChem CID 2268437) has the molecular formula C23H19FN2O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide
PubChem CID2268437
Molecular FormulaC23H19FN2O3
Molecular Weight390.41 g/mol
Exact Mass390.14
IUPAC NameN-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)c1
InChIInChI=1S/C23H19FN2O3/c1-2-11-28-19-8-4-5-15(13-19)22(27)25-18-9-10-21-20(14-18)26-23(29-21)16-6-3-7-17(24)12-16/h3-10,12-14H,2,11H2,1H3,(H,25,27)
InChIKeyKKFIWBLBDUDETR-UHFFFAOYSA-N
XLogP5.68
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.41
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide
CID 23908646
N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-propoxybenzamide
CID 23937296
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate
CID 21211890
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide
CID 3400845
4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23960249
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide
CID 21211496
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzamide
CID 1363898
3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996567
3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127526
3-butoxy-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3117238
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide
CID 17110524
N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide
CID 15997458

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide?
The IUPAC name of N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide (CID 2268437) is N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide?
The InChIKey is KKFIWBLBDUDETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3/c1-2-11-28-19-8-4-5-15(13-19)22(27)25-18-9-10-21-20(14-18)26-23(29-21)16-6-3-7-17(24)12-16/h3-10,12-14H,2,11H2,1H3,(H,25,27).
What are the key properties of N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide?
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide has a molecular weight of 390.41 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide is sourced from PubChem (CID 2268437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).