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

C23H21N5O3 — CID 78876600

IUPACN-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccn2)no1)NCc1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C23H21N5O3/c29-21(10-11-22-27-23(28-31-22)20-5-1-2-13-25-20)26-15-17-6-8-19(9-7-17)30-16-18-4-3-12-24-14-18/h1-9,12-14H,10-11,15-16H2,(H,26,29)
InChIKeyCWJKTGKOMVUZBU-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.35
Rot. Bonds9

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

N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 78876600) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID78876600
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC NameN-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccn2)no1)NCc1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C23H21N5O3/c29-21(10-11-22-27-23(28-31-22)20-5-1-2-13-25-20)26-15-17-6-8-19(9-7-17)30-16-18-4-3-12-24-14-18/h1-9,12-14H,10-11,15-16H2,(H,26,29)
InChIKeyCWJKTGKOMVUZBU-UHFFFAOYSA-N
XLogP3.35
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 667378
N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39157817
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide
CID 46461382
N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55880789
N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980596
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]propanamide
CID 46463313
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 36604713
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 30768847
5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111441587
N-[2-(2,6-difluorophenyl)ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 87006930

Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 78876600) is N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccccn2)no1)NCc1ccc(OCc2cccnc2)cc1.
What is the InChIKey of N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is CWJKTGKOMVUZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c29-21(10-11-22-27-23(28-31-22)20-5-1-2-13-25-20)26-15-17-6-8-19(9-7-17)30-16-18-4-3-12-24-14-18/h1-9,12-14H,10-11,15-16H2,(H,26,29).
What are the key properties of N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 415.45 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 78876600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).