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

C20H20N4O3 — CID 90562611

IUPACN-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2cccnc2)no1)C1CCOCC1
InChIInChI=1S/C20H20N4O3/c25-20(14-7-10-26-11-8-14)22-17-6-2-1-4-15(17)12-18-23-19(24-27-18)16-5-3-9-21-13-16/h1-6,9,13-14H,7-8,10-12H2,(H,22,25)
InChIKeyUJYINYZXJGDOGG-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.09
Rot. Bonds5

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

N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]oxane-4-carboxamide (PubChem CID 90562611) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]oxane-4-carboxamide
PubChem CID90562611
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2cccnc2)no1)C1CCOCC1
InChIInChI=1S/C20H20N4O3/c25-20(14-7-10-26-11-8-14)22-17-6-2-1-4-15(17)12-18-23-19(24-27-18)16-5-3-9-21-13-16/h1-6,9,13-14H,7-8,10-12H2,(H,22,25)
InChIKeyUJYINYZXJGDOGG-UHFFFAOYSA-N
XLogP3.09
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dimethylphenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562669
1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562689
1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 71800527
2-nitro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562473
1-(2-ethoxyphenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562672
N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide
CID 90562478
2,3,4-trifluoro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562645
1-(oxan-4-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
CID 119066688
1-methyl-3-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide
CID 71800507
2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562554
3-methoxy-1-methyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide
CID 71800518
benzyl N-[2-oxo-2-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]carbamate
CID 90562603

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]oxane-4-carboxamide (CID 90562611) is N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]oxane-4-carboxamide is O=C(Nc1ccccc1Cc1nc(-c2cccnc2)no1)C1CCOCC1.
What is the InChIKey of N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]oxane-4-carboxamide?
The InChIKey is UJYINYZXJGDOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-20(14-7-10-26-11-8-14)22-17-6-2-1-4-15(17)12-18-23-19(24-27-18)16-5-3-9-21-13-16/h1-6,9,13-14H,7-8,10-12H2,(H,22,25).
What are the key properties of N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]oxane-4-carboxamide?
N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]oxane-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]oxane-4-carboxamide is sourced from PubChem (CID 90562611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).