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

C18H16ClN5O3 — CID 55991123

IUPAC2-chloro-N-methyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESCNC(=O)c1cc(NC(=O)CCc2nc(-c3cccnc3)no2)ccc1Cl
InChIInChI=1S/C18H16ClN5O3/c1-20-18(26)13-9-12(4-5-14(13)19)22-15(25)6-7-16-23-17(24-27-16)11-3-2-8-21-10-11/h2-5,8-10H,6-7H2,1H3,(H,20,26)(H,22,25)
InChIKeyKCCYMBPFUDWZLA-UHFFFAOYSA-N
MW385.81 g/mol
LogP2.72
Rot. Bonds6

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

2-chloro-N-methyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (PubChem CID 55991123) has the molecular formula C18H16ClN5O3 and a molecular weight of 385.81 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
PubChem CID55991123
Molecular FormulaC18H16ClN5O3
Molecular Weight385.81 g/mol
Exact Mass385.09
IUPAC Name2-chloro-N-methyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESCNC(=O)c1cc(NC(=O)CCc2nc(-c3cccnc3)no2)ccc1Cl
InChIInChI=1S/C18H16ClN5O3/c1-20-18(26)13-9-12(4-5-14(13)19)22-15(25)6-7-16-23-17(24-27-16)11-3-2-8-21-10-11/h2-5,8-10H,6-7H2,1H3,(H,20,26)(H,22,25)
InChIKeyKCCYMBPFUDWZLA-UHFFFAOYSA-N
XLogP2.72
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-phenyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 86954732
N-[4-(methylcarbamoylamino)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55626773
N-(4-acetylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 16765512
N-(3-methoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51233747
4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 51233758
N-(4-chloro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 53047544
methyl 3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate
CID 16765520
N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46460553
N-(6-methoxy-3-pyridinyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46459907
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55622608
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55631662
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55624586

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The IUPAC name of 2-chloro-N-methyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (CID 55991123) is 2-chloro-N-methyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is CNC(=O)c1cc(NC(=O)CCc2nc(-c3cccnc3)no2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The InChIKey is KCCYMBPFUDWZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O3/c1-20-18(26)13-9-12(4-5-14(13)19)22-15(25)6-7-16-23-17(24-27-16)11-3-2-8-21-10-11/h2-5,8-10H,6-7H2,1H3,(H,20,26)(H,22,25).
What are the key properties of 2-chloro-N-methyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
2-chloro-N-methyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide has a molecular weight of 385.81 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is sourced from PubChem (CID 55991123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).