N-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide

C25H22ClN3O5 — CID 23004512

IUPACN-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(c2nnc(-c3ccccc3)o2)c2ccccc2Cl)cc(OC)c1OC
InChIInChI=1S/C25H22ClN3O5/c1-31-19-13-16(14-20(32-2)22(19)33-3)23(30)27-21(17-11-7-8-12-18(17)26)25-29-28-24(34-25)15-9-5-4-6-10-15/h4-14,21H,1-3H3,(H,27,30)
InChIKeyIAHQSMFSLWGBIF-UHFFFAOYSA-N
MW479.92 g/mol
LogP4.94
Rot. Bonds8

About N-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide

N-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide (PubChem CID 23004512) has the molecular formula C25H22ClN3O5 and a molecular weight of 479.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
PubChem CID23004512
Molecular FormulaC25H22ClN3O5
Molecular Weight479.92 g/mol
Exact Mass479.12
IUPAC NameN-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(c2nnc(-c3ccccc3)o2)c2ccccc2Cl)cc(OC)c1OC
InChIInChI=1S/C25H22ClN3O5/c1-31-19-13-16(14-20(32-2)22(19)33-3)23(30)27-21(17-11-7-8-12-18(17)26)25-29-28-24(34-25)15-9-5-4-6-10-15/h4-14,21H,1-3H3,(H,27,30)
InChIKeyIAHQSMFSLWGBIF-UHFFFAOYSA-N
XLogP4.94
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.92
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 41143426
N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethoxybenzamide
CID 27017983
N-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 92711110
N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 92711139
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 20960141
N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylbenzamide
CID 27088552
5-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 22434124
5-chloro-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 92700778
N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxybenzamide
CID 28760976
N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methoxybenzamide
CID 28814350
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3,4,5-trimethoxybenzoate
CID 8870596
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-methoxybenzamide
CID 17252091

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide (CID 23004512) is N-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC(c2nnc(-c3ccccc3)o2)c2ccccc2Cl)cc(OC)c1OC.
What is the InChIKey of N-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is IAHQSMFSLWGBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O5/c1-31-19-13-16(14-20(32-2)22(19)33-3)23(30)27-21(17-11-7-8-12-18(17)26)25-29-28-24(34-25)15-9-5-4-6-10-15/h4-14,21H,1-3H3,(H,27,30).
What are the key properties of N-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide?
N-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 479.92 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 23004512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).