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

C23H18Cl2N2O2 — CID 17163454

IUPAC2,5-dichloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]benzamide
SMILESCc1cc2nc(-c3ccc(CNC(=O)c4cc(Cl)ccc4Cl)cc3)oc2cc1C
InChIInChI=1S/C23H18Cl2N2O2/c1-13-9-20-21(10-14(13)2)29-23(27-20)16-5-3-15(4-6-16)12-26-22(28)18-11-17(24)7-8-19(18)25/h3-11H,12H2,1-2H3,(H,26,28)
InChIKeyPNVADCSLMVAFRZ-UHFFFAOYSA-N
MW425.32 g/mol
LogP6.35
Rot. Bonds4

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

2,5-dichloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]benzamide (PubChem CID 17163454) has the molecular formula C23H18Cl2N2O2 and a molecular weight of 425.32 g/mol. Its IUPAC name is 2,5-dichloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]benzamide
PubChem CID17163454
Molecular FormulaC23H18Cl2N2O2
Molecular Weight425.32 g/mol
Exact Mass424.07
IUPAC Name2,5-dichloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]benzamide
SMILESCc1cc2nc(-c3ccc(CNC(=O)c4cc(Cl)ccc4Cl)cc3)oc2cc1C
InChIInChI=1S/C23H18Cl2N2O2/c1-13-9-20-21(10-14(13)2)29-23(27-20)16-5-3-15(4-6-16)12-26-22(28)18-11-17(24)7-8-19(18)25/h3-11H,12H2,1-2H3,(H,26,28)
InChIKeyPNVADCSLMVAFRZ-UHFFFAOYSA-N
XLogP6.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.32
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide
CID 17163439
(E)-3-(4-chlorophenyl)-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]prop-2-enamide
CID 17163538
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17163458
5-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 1367150
5-(4-chlorophenyl)-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 17078844
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
5-bromo-2-chloro-N-[2-chloro-5-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 2173612
2-(2,5-dichlorophenyl)-5,6-dimethyl-1,3-benzoxazole
CID 95911056
2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095801
3,6-dichloro-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 17078862
2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole
CID 95910929

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]benzamide (CID 17163454) is 2,5-dichloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]benzamide is Cc1cc2nc(-c3ccc(CNC(=O)c4cc(Cl)ccc4Cl)cc3)oc2cc1C.
What is the InChIKey of 2,5-dichloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]benzamide?
The InChIKey is PNVADCSLMVAFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O2/c1-13-9-20-21(10-14(13)2)29-23(27-20)16-5-3-15(4-6-16)12-26-22(28)18-11-17(24)7-8-19(18)25/h3-11H,12H2,1-2H3,(H,26,28).
What are the key properties of 2,5-dichloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]benzamide?
2,5-dichloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]benzamide has a molecular weight of 425.32 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 17163454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).