N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-2-chlorobenzamide

C22H18ClN3O4 — CID 92713011

IUPACN-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-2-chlorobenzamide
SMILESCC(=O)N1N=C(c2ccc(C)o2)O[C@H]1c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C22H18ClN3O4/c1-13-7-12-19(29-13)21-25-26(14(2)27)22(30-21)15-8-10-16(11-9-15)24-20(28)17-5-3-4-6-18(17)23/h3-12,22H,1-2H3,(H,24,28)/t22-/m0/s1
InChIKeyFYOCLFBOTKRUDW-QFIPXVFZSA-N
MW423.86 g/mol
LogP4.73
Rot. Bonds4

About N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-2-chlorobenzamide

N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-2-chlorobenzamide (PubChem CID 92713011) has the molecular formula C22H18ClN3O4 and a molecular weight of 423.86 g/mol. Its IUPAC name is N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-2-chlorobenzamide
PubChem CID92713011
Molecular FormulaC22H18ClN3O4
Molecular Weight423.86 g/mol
Exact Mass423.10
IUPAC NameN-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-2-chlorobenzamide
SMILESCC(=O)N1N=C(c2ccc(C)o2)O[C@H]1c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C22H18ClN3O4/c1-13-7-12-19(29-13)21-25-26(14(2)27)22(30-21)15-8-10-16(11-9-15)24-20(28)17-5-3-4-6-18(17)23/h3-12,22H,1-2H3,(H,24,28)/t22-/m0/s1
InChIKeyFYOCLFBOTKRUDW-QFIPXVFZSA-N
XLogP4.73
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.86
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide
CID 92713031
1-[2-(4-chlorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 23661086
1-[(2S)-5-(2-chlorophenyl)-2-(4-nitrophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 92707044
1-[(2R)-2-(4-methylphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 53465288
[1-[(2R)-3-acetyl-2-[4-[(3-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate
CID 92713026
1-[(2R)-5-(3,6-dichloro-2-pyridinyl)-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 27567031
1-[5-(3-chloro-1-benzothiophen-2-yl)-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 86573484
[2-[(2S)-3-acetyl-2-[3-[(2-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]-4-chloro-6-nitrophenyl] acetate
CID 98222029
N-[4-(3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl)phenyl]-3-chlorobenzamide
CID 53019682
N-[4-[(2S)-3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl]phenyl]-3-chlorobenzamide
CID 95053024
1-(2-phenyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl)ethanone
CID 54578785
1-[(2R)-5-(4-chloro-3-nitrophenyl)-2-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 92712783

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-2-chlorobenzamide?
The IUPAC name of N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-2-chlorobenzamide (CID 92713011) is N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-2-chlorobenzamide.
What is the SMILES notation for N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-2-chlorobenzamide?
The canonical SMILES for N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-2-chlorobenzamide is CC(=O)N1N=C(c2ccc(C)o2)O[C@H]1c1ccc(NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-2-chlorobenzamide?
The InChIKey is FYOCLFBOTKRUDW-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H18ClN3O4/c1-13-7-12-19(29-13)21-25-26(14(2)27)22(30-21)15-8-10-16(11-9-15)24-20(28)17-5-3-4-6-18(17)23/h3-12,22H,1-2H3,(H,24,28)/t22-/m0/s1.
What are the key properties of N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-2-chlorobenzamide?
N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-2-chlorobenzamide has a molecular weight of 423.86 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-2-chlorobenzamide is sourced from PubChem (CID 92713011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).