3-(azocan-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide

C18H25N5O2 — CID 46988239

IUPAC3-(azocan-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESO=C(CCN1CCCCCCC1)NCc1nc(-c2cccnc2)no1
InChIInChI=1S/C18H25N5O2/c24-16(8-12-23-10-4-2-1-3-5-11-23)20-14-17-21-18(22-25-17)15-7-6-9-19-13-15/h6-7,9,13H,1-5,8,10-12,14H2,(H,20,24)
InChIKeyXNHAAIAAFOXHRU-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.40
Rot. Bonds6

About 3-(azocan-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide

3-(azocan-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 46988239) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(azocan-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(azocan-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID46988239
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-(azocan-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESO=C(CCN1CCCCCCC1)NCc1nc(-c2cccnc2)no1
InChIInChI=1S/C18H25N5O2/c24-16(8-12-23-10-4-2-1-3-5-11-23)20-14-17-21-18(22-25-17)15-7-6-9-19-13-15/h6-7,9,13H,1-5,8,10-12,14H2,(H,20,24)
InChIKeyXNHAAIAAFOXHRU-UHFFFAOYSA-N
XLogP2.40
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 142672377
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 55622804
N-(2-methyl-3-piperidin-1-ylpropyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55980926
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47043297
N-(furan-2-ylmethyl)-3-[(3R)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
CID 95126219
(3R)-1-(furan-2-ylmethyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 97203305
1-(furan-2-ylmethyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 72909372
N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46471626
azepan-1-yl-[1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 134011136
1-piperidin-1-yl-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
CID 75538435
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55623767
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78868323

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(azocan-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 46988239) is 3-(azocan-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(azocan-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(azocan-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is O=C(CCN1CCCCCCC1)NCc1nc(-c2cccnc2)no1.
What is the InChIKey of 3-(azocan-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is XNHAAIAAFOXHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-16(8-12-23-10-4-2-1-3-5-11-23)20-14-17-21-18(22-25-17)15-7-6-9-19-13-15/h6-7,9,13H,1-5,8,10-12,14H2,(H,20,24).
What are the key properties of 3-(azocan-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
3-(azocan-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 46988239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).