4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide

C24H21FN2O2 — CID 23960249

IUPAC4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1
InChIInChI=1S/C24H21FN2O2/c1-24(2,3)17-9-7-15(8-10-17)22(28)26-19-11-12-21-20(14-19)27-23(29-21)16-5-4-6-18(25)13-16/h4-14H,1-3H3,(H,26,28)
InChIKeySBVGEDOOZIMLJW-UHFFFAOYSA-N
MW388.44 g/mol
LogP6.18
Rot. Bonds3

About 4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide

4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 23960249) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID23960249
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Name4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1
InChIInChI=1S/C24H21FN2O2/c1-24(2,3)17-9-7-15(8-10-17)22(28)26-19-11-12-21-20(14-19)27-23(29-21)16-5-4-6-18(25)13-16/h4-14H,1-3H3,(H,26,28)
InChIKeySBVGEDOOZIMLJW-UHFFFAOYSA-N
XLogP6.18
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.44
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate
CID 21211890
2-(4-tert-butylphenoxy)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 23960858
4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 696909
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide
CID 2268437
1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 82299125
2,3-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1324915
3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996567
2,5-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126552
4-butoxy-N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3877415
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-fluorobenzamide
CID 1338265
2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine
CID 91676646

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide (CID 23960249) is 4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is SBVGEDOOZIMLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c1-24(2,3)17-9-7-15(8-10-17)22(28)26-19-11-12-21-20(14-19)27-23(29-21)16-5-4-6-18(25)13-16/h4-14H,1-3H3,(H,26,28).
What are the key properties of 4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 388.44 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 23960249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).