3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(5-chloro-2-pyridinyl)propanamide

C19H24ClN5O3 — CID 47781119

IUPAC3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(5-chloro-2-pyridinyl)propanamide
SMILESCC(=O)NC1(c2noc(CCC(=O)Nc3ccc(Cl)cn3)n2)CCCCCC1
InChIInChI=1S/C19H24ClN5O3/c1-13(26)24-19(10-4-2-3-5-11-19)18-23-17(28-25-18)9-8-16(27)22-15-7-6-14(20)12-21-15/h6-7,12H,2-5,8-11H2,1H3,(H,24,26)(H,21,22,27)
InChIKeyUPVUWSADKNMPMO-UHFFFAOYSA-N
MW405.89 g/mol
LogP3.37
Rot. Bonds6

About 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(5-chloro-2-pyridinyl)propanamide

3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(5-chloro-2-pyridinyl)propanamide (PubChem CID 47781119) has the molecular formula C19H24ClN5O3 and a molecular weight of 405.89 g/mol. Its IUPAC name is 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(5-chloro-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(5-chloro-2-pyridinyl)propanamide
PubChem CID47781119
Molecular FormulaC19H24ClN5O3
Molecular Weight405.89 g/mol
Exact Mass405.16
IUPAC Name3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(5-chloro-2-pyridinyl)propanamide
SMILESCC(=O)NC1(c2noc(CCC(=O)Nc3ccc(Cl)cn3)n2)CCCCCC1
InChIInChI=1S/C19H24ClN5O3/c1-13(26)24-19(10-4-2-3-5-11-19)18-23-17(28-25-18)9-8-16(27)22-15-7-6-14(20)12-21-15/h6-7,12H,2-5,8-11H2,1H3,(H,24,26)(H,21,22,27)
InChIKeyUPVUWSADKNMPMO-UHFFFAOYSA-N
XLogP3.37
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)ethyl]propanamide
CID 119502551
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(3-phenoxyphenyl)propanamide
CID 52738993
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(1-amino-2,3-dimethylbutan-2-yl)propanamide
CID 119607563
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(4-aminocyclohexyl)propanamide;hydrochloride
CID 119477173
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119427167
N-[1-[5-(3-oxo-3-piperazin-1-ylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide
CID 119402321
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]propanamide
CID 56558994
N-[1-[5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexyl]acetamide
CID 136533178
2-[3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]propanoyl-propan-2-ylamino]acetic acid
CID 119198785
N-[1-[5-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide
CID 60573493
2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 71896477
N-[1-[5-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide;hydrochloride
CID 120571096

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(5-chloro-2-pyridinyl)propanamide?
The IUPAC name of 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(5-chloro-2-pyridinyl)propanamide (CID 47781119) is 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(5-chloro-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(5-chloro-2-pyridinyl)propanamide?
The canonical SMILES for 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(5-chloro-2-pyridinyl)propanamide is CC(=O)NC1(c2noc(CCC(=O)Nc3ccc(Cl)cn3)n2)CCCCCC1.
What is the InChIKey of 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(5-chloro-2-pyridinyl)propanamide?
The InChIKey is UPVUWSADKNMPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O3/c1-13(26)24-19(10-4-2-3-5-11-19)18-23-17(28-25-18)9-8-16(27)22-15-7-6-14(20)12-21-15/h6-7,12H,2-5,8-11H2,1H3,(H,24,26)(H,21,22,27).
What are the key properties of 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(5-chloro-2-pyridinyl)propanamide?
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(5-chloro-2-pyridinyl)propanamide has a molecular weight of 405.89 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(5-chloro-2-pyridinyl)propanamide is sourced from PubChem (CID 47781119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).