N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide

C23H19FN2O2 — CID 17163439

IUPACN-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide
SMILESCc1cc2nc(-c3ccc(CNC(=O)c4ccccc4F)cc3)oc2cc1C
InChIInChI=1S/C23H19FN2O2/c1-14-11-20-21(12-15(14)2)28-23(26-20)17-9-7-16(8-10-17)13-25-22(27)18-5-3-4-6-19(18)24/h3-12H,13H2,1-2H3,(H,25,27)
InChIKeyZDZBABJTCVMEAV-UHFFFAOYSA-N
MW374.42 g/mol
LogP5.18
Rot. Bonds4

About N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide

N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide (PubChem CID 17163439) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide
PubChem CID17163439
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC NameN-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide
SMILESCc1cc2nc(-c3ccc(CNC(=O)c4ccccc4F)cc3)oc2cc1C
InChIInChI=1S/C23H19FN2O2/c1-14-11-20-21(12-15(14)2)28-23(26-20)17-9-7-16(8-10-17)13-25-22(27)18-5-3-4-6-19(18)24/h3-12H,13H2,1-2H3,(H,25,27)
InChIKeyZDZBABJTCVMEAV-UHFFFAOYSA-N
XLogP5.18
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide
CID 2994943
2,5-dichloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]benzamide
CID 17163454
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17163458
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-propan-2-yloxybenzamide
CID 17163482
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-methylpropoxy)benzamide
CID 17163567
N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-2-fluorobenzamide
CID 3362946
(E)-3-(4-chlorophenyl)-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]prop-2-enamide
CID 17163538
N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide
CID 3118999
2-methyl-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]benzamide
CID 17102989
2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole
CID 95910929
2-(4-bromophenoxy)-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-methylpropanamide
CID 17163578
N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 166376841

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide (CID 17163439) is N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide is Cc1cc2nc(-c3ccc(CNC(=O)c4ccccc4F)cc3)oc2cc1C.
What is the InChIKey of N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide?
The InChIKey is ZDZBABJTCVMEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-14-11-20-21(12-15(14)2)28-23(26-20)17-9-7-16(8-10-17)13-25-22(27)18-5-3-4-6-19(18)24/h3-12H,13H2,1-2H3,(H,25,27).
What are the key properties of N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide?
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide has a molecular weight of 374.42 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 17163439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).