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

C24H20ClN3O4 — CID 20960141

IUPACN-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1OC
InChIInChI=1S/C24H20ClN3O4/c1-30-19-13-10-17(14-20(19)31-2)22(29)26-21(15-8-11-18(25)12-9-15)24-28-27-23(32-24)16-6-4-3-5-7-16/h3-14,21H,1-2H3,(H,26,29)
InChIKeyUFPBOYUUQCMZDU-UHFFFAOYSA-N
MW449.89 g/mol
LogP4.93
Rot. Bonds7

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

N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide (PubChem CID 20960141) has the molecular formula C24H20ClN3O4 and a molecular weight of 449.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
PubChem CID20960141
Molecular FormulaC24H20ClN3O4
Molecular Weight449.89 g/mol
Exact Mass449.11
IUPAC NameN-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1OC
InChIInChI=1S/C24H20ClN3O4/c1-30-19-13-10-17(14-20(19)31-2)22(29)26-21(15-8-11-18(25)12-9-15)24-28-27-23(32-24)16-6-4-3-5-7-16/h3-14,21H,1-2H3,(H,26,29)
InChIKeyUFPBOYUUQCMZDU-UHFFFAOYSA-N
XLogP4.93
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.89
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methoxybenzamide
CID 28814350
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-methoxybenzamide
CID 17252091
N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 92711139
N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxybenzamide
CID 26791746
N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxybenzamide
CID 28760976
N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methylbenzamide
CID 26791742
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxyaniline
CID 22432817
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethoxybenzamide
CID 28718254
N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 41143426
N-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 23004512
N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 92873762
5-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 22434124

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide (CID 20960141) is N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NC(c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1OC.
What is the InChIKey of N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide?
The InChIKey is UFPBOYUUQCMZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O4/c1-30-19-13-10-17(14-20(19)31-2)22(29)26-21(15-8-11-18(25)12-9-15)24-28-27-23(32-24)16-6-4-3-5-7-16/h3-14,21H,1-2H3,(H,26,29).
What are the key properties of N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide?
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide has a molecular weight of 449.89 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 20960141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).