2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

C25H22N4O3 — CID 135105880

IUPAC2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESO=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C25H22N4O3/c30-24(27-22-16-31-15-19(22)14-17-10-12-26-13-11-17)20-8-4-5-9-21(20)25-28-23(29-32-25)18-6-2-1-3-7-18/h1-13,19,22H,14-16H2,(H,27,30)/t19-,22+/m1/s1
InChIKeyZSCFSTRJTVXUHD-KNQAVFIVSA-N
MW426.48 g/mol
LogP3.79
Rot. Bonds6

About 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide (PubChem CID 135105880) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide.

Molecular Properties

Compound Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
PubChem CID135105880
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESO=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C25H22N4O3/c30-24(27-22-16-31-15-19(22)14-17-10-12-26-13-11-17)20-8-4-5-9-21(20)25-28-23(29-32-25)18-6-2-1-3-7-18/h1-13,19,22H,14-16H2,(H,27,30)/t19-,22+/m1/s1
InChIKeyZSCFSTRJTVXUHD-KNQAVFIVSA-N
XLogP3.79
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine
CID 135094889
2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705560
2-(4-chlorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide
CID 135113691
2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide
CID 135116799
N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide
CID 135092758
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135106892
3-methoxy-2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134696817
2-anilino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide
CID 162626374
N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 134695488
N-[(3aR,5S,6S,7aS)-6-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 172666433
4-phenyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide
CID 134712464
N-[2-(aminomethyl)cyclopentyl]-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 119601520

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The IUPAC name of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide (CID 135105880) is 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide.
What is the SMILES notation for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The canonical SMILES for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide is O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1ccccc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The InChIKey is ZSCFSTRJTVXUHD-KNQAVFIVSA-N. The full InChI is InChI=1S/C25H22N4O3/c30-24(27-22-16-31-15-19(22)14-17-10-12-26-13-11-17)20-8-4-5-9-21(20)25-28-23(29-32-25)18-6-2-1-3-7-18/h1-13,19,22H,14-16H2,(H,27,30)/t19-,22+/m1/s1.
What are the key properties of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide has a molecular weight of 426.48 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide is sourced from PubChem (CID 135105880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).