4-acetamido-2-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide

C18H16ClN5O3 — CID 131904550

IUPAC4-acetamido-2-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)Cc2nc(-c3ccccn3)no2)c(Cl)c1
InChIInChI=1S/C18H16ClN5O3/c1-11(25)21-12-6-7-13(14(19)9-12)18(26)24(2)10-16-22-17(23-27-16)15-5-3-4-8-20-15/h3-9H,10H2,1-2H3,(H,21,25)
InChIKeyXVJGJFGGBSYYGP-UHFFFAOYSA-N
MW385.81 g/mol
LogP3.02
Rot. Bonds5

About 4-acetamido-2-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide

4-acetamido-2-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 131904550) has the molecular formula C18H16ClN5O3 and a molecular weight of 385.81 g/mol. Its IUPAC name is 4-acetamido-2-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-acetamido-2-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID131904550
Molecular FormulaC18H16ClN5O3
Molecular Weight385.81 g/mol
Exact Mass385.09
IUPAC Name4-acetamido-2-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)Cc2nc(-c3ccccn3)no2)c(Cl)c1
InChIInChI=1S/C18H16ClN5O3/c1-11(25)21-12-6-7-13(14(19)9-12)18(26)24(2)10-16-22-17(23-27-16)15-5-3-4-8-20-15/h3-9H,10H2,1-2H3,(H,21,25)
InChIKeyXVJGJFGGBSYYGP-UHFFFAOYSA-N
XLogP3.02
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 50984748
2,4-dichloro-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide
CID 50874541
N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 70763046
5-ethyl-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-oxazole-4-carboxamide
CID 70740997
2-chloro-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 6471652
N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 33129363
2,4-dichloro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide
CID 8835872
3-(2,4-difluorophenyl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 70771980
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 97197907
N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide
CID 70765176
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78887811

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-2-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 4-acetamido-2-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 131904550) is 4-acetamido-2-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-acetamido-2-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-acetamido-2-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide is CC(=O)Nc1ccc(C(=O)N(C)Cc2nc(-c3ccccn3)no2)c(Cl)c1.
What is the InChIKey of 4-acetamido-2-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is XVJGJFGGBSYYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O3/c1-11(25)21-12-6-7-13(14(19)9-12)18(26)24(2)10-16-22-17(23-27-16)15-5-3-4-8-20-15/h3-9H,10H2,1-2H3,(H,21,25).
What are the key properties of 4-acetamido-2-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
4-acetamido-2-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 385.81 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-2-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 131904550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).