(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

C21H23N5O2 — CID 171336878

IUPAC(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
SMILESCn1ccnc1CNC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C21H23N5O2/c1-26-10-9-22-16(26)12-23-20(27)17-14-7-8-15(11-14)18(17)21-24-19(25-28-21)13-5-3-2-4-6-13/h2-6,9-10,14-15,17-18H,7-8,11-12H2,1H3,(H,23,27)/t14-,15+,17-,18-/m0/s1
InChIKeyYRTAUKYTPTUAOO-MVJTYMMSSA-N
MW377.45 g/mol
LogP2.92
Rot. Bonds5

About (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

(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 (PubChem CID 171336878) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID171336878
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name(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
SMILESCn1ccnc1CNC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C21H23N5O2/c1-26-10-9-22-16(26)12-23-20(27)17-14-7-8-15(11-14)18(17)21-24-19(25-28-21)13-5-3-2-4-6-13/h2-6,9-10,14-15,17-18H,7-8,11-12H2,1H3,(H,23,27)/t14-,15+,17-,18-/m0/s1
InChIKeyYRTAUKYTPTUAOO-MVJTYMMSSA-N
XLogP2.92
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(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
(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
5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 56896959
(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
(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)-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
(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 171336960
1-methyl-N-[(1S,2R,4R)-4-(methylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]imidazole-2-carboxamide
CID 154578662
(1S,2S,3S,4R)-N-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 171337173
(1S,2S,3S,4R)-N-cyclopentyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 171336847
(1S,2S,3S,4R)-N-(2,2-dimethylpropyl)-3-[3-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 171337079

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cn1ccnc1CNC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1c1nc(-c2ccccc2)no1.
What is the InChIKey of (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?
The InChIKey is YRTAUKYTPTUAOO-MVJTYMMSSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-26-10-9-22-16(26)12-23-20(27)17-14-7-8-15(11-14)18(17)21-24-19(25-28-21)13-5-3-2-4-6-13/h2-6,9-10,14-15,17-18H,7-8,11-12H2,1H3,(H,23,27)/t14-,15+,17-,18-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 377.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 171336878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).