(1S,2S,3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide

C22H22N4O2 — CID 171336884

IUPAC(1S,2S,3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1cccnc1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C22H22N4O2/c27-21(24-13-14-5-4-10-23-12-14)18-16-8-9-17(11-16)19(18)22-25-20(26-28-22)15-6-2-1-3-7-15/h1-7,10,12,16-19H,8-9,11,13H2,(H,24,27)/t16-,17+,18-,19-/m0/s1
InChIKeyLAKYWUUBHZFQRJ-RDGPPVDQSA-N
MW374.44 g/mol
LogP3.58
Rot. Bonds5

About (1S,2S,3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide

(1S,2S,3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 171336884) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is (1S,2S,3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2S,3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID171336884
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name(1S,2S,3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1cccnc1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C22H22N4O2/c27-21(24-13-14-5-4-10-23-12-14)18-16-8-9-17(11-16)19(18)22-25-20(26-28-22)15-6-2-1-3-7-15/h1-7,10,12,16-19H,8-9,11,13H2,(H,24,27)/t16-,17+,18-,19-/m0/s1
InChIKeyLAKYWUUBHZFQRJ-RDGPPVDQSA-N
XLogP3.58
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,2S,3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

(1S,2S,3S,4R)-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 171336851
(1S,2S,3S,4R)-N-[(1-methylimidazol-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 171336878
(2S,3S)-3-(pyridin-3-ylmethylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 40636476
(1S,2S,3S,4R)-N-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 171337048
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 50767461
(1S,2S,3S,4R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 171337007
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 50824889
(1S,2S,3S,4R)-N-[(1-methylimidazol-2-yl)methyl]-3-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 171337161
N-(pyridin-3-ylmethyl)adamantane-2-carboxamide
CID 46532026
(1S,2S,3S,4R)-N-propyl-3-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 171337159
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
(1R,2S,3S,4R)-3-(pyridin-3-ylmethylcarbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 98211060

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2S,3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 171336884) is (1S,2S,3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2S,3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2S,3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCc1cccnc1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1c1nc(-c2ccccc2)no1.
What is the InChIKey of (1S,2S,3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is LAKYWUUBHZFQRJ-RDGPPVDQSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21(24-13-14-5-4-10-23-12-14)18-16-8-9-17(11-16)19(18)22-25-20(26-28-22)15-6-2-1-3-7-15/h1-7,10,12,16-19H,8-9,11,13H2,(H,24,27)/t16-,17+,18-,19-/m0/s1.
What are the key properties of (1S,2S,3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
(1S,2S,3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 171336884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).