2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide

C21H11F5N2O3 — CID 4135318

IUPAC2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3o2)cc1
InChIInChI=1S/C21H11F5N2O3/c1-30-11-5-2-9(3-6-11)21-28-12-8-10(4-7-13(12)31-21)27-20(29)14-15(22)17(24)19(26)18(25)16(14)23/h2-8H,1H3,(H,27,29)
InChIKeyKNPZVFOQDPTLPE-UHFFFAOYSA-N
MW434.32 g/mol
LogP5.45
Rot. Bonds4

About 2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide

2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 4135318) has the molecular formula C21H11F5N2O3 and a molecular weight of 434.32 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID4135318
Molecular FormulaC21H11F5N2O3
Molecular Weight434.32 g/mol
Exact Mass434.07
IUPAC Name2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3o2)cc1
InChIInChI=1S/C21H11F5N2O3/c1-30-11-5-2-9(3-6-11)21-28-12-8-10(4-7-13(12)31-21)27-20(29)14-15(22)17(24)19(26)18(25)16(14)23/h2-8H,1H3,(H,27,29)
InChIKeyKNPZVFOQDPTLPE-UHFFFAOYSA-N
XLogP5.45
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.32
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 17110623
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1146260
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide
CID 25187792
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 17110595
3,4-dichloro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1338100
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5234955
4-ethyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 29243131
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide
CID 1015710
4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 1326852
2,3,4,5,6-pentafluoro-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4105266
N-[4-[5-[(3,4-dimethoxybenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 53356241

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide (CID 4135318) is 2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide is COc1ccc(-c2nc3cc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3o2)cc1.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is KNPZVFOQDPTLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F5N2O3/c1-30-11-5-2-9(3-6-11)21-28-12-8-10(4-7-13(12)31-21)27-20(29)14-15(22)17(24)19(26)18(25)16(14)23/h2-8H,1H3,(H,27,29).
What are the key properties of 2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide?
2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 434.32 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 4135318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).