[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone

C19H20N4O2 — CID 45246459

IUPAC[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
SMILESCc1nc2ccccc2n1Cc1cc(C(=O)N2C[C@H]3CC[C@H]2C3)no1
InChIInChI=1S/C19H20N4O2/c1-12-20-16-4-2-3-5-18(16)22(12)11-15-9-17(21-25-15)19(24)23-10-13-6-7-14(23)8-13/h2-5,9,13-14H,6-8,10-11H2,1H3/t13-,14-/m0/s1
InChIKeyHUFGJCKZYCITJN-KBPBESRZSA-N
MW336.39 g/mol
LogP3.01
Rot. Bonds3

About [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone

[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone (PubChem CID 45246459) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
PubChem CID45246459
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
SMILESCc1nc2ccccc2n1Cc1cc(C(=O)N2C[C@H]3CC[C@H]2C3)no1
InChIInChI=1S/C19H20N4O2/c1-12-20-16-4-2-3-5-18(16)22(12)11-15-9-17(21-25-15)19(24)23-10-13-6-7-14(23)8-13/h2-5,9,13-14H,6-8,10-11H2,1H3/t13-,14-/m0/s1
InChIKeyHUFGJCKZYCITJN-KBPBESRZSA-N
XLogP3.01
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone 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

5-[(2-methylbenzimidazol-1-yl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 42595216
5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 62374387
5-[(2-methylbenzimidazol-1-yl)methyl]-N-[(2S)-1-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 95222262
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-(benzimidazol-1-ylmethyl)-1H-pyrazol-3-yl]methanone
CID 45190716
3-cyclopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 112728287
2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone
CID 61072408
[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 96579442
2-(2-methylbenzimidazol-1-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 128988223
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
CID 45240305
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
1-(cyclopentylmethyl)-2-methylbenzimidazole
CID 112728278
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217

Frequently Asked Questions

What is the IUPAC name of [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone (CID 45246459) is [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone is Cc1nc2ccccc2n1Cc1cc(C(=O)N2C[C@H]3CC[C@H]2C3)no1.
What is the InChIKey of [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is HUFGJCKZYCITJN-KBPBESRZSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-20-16-4-2-3-5-18(16)22(12)11-15-9-17(21-25-15)19(24)23-10-13-6-7-14(23)8-13/h2-5,9,13-14H,6-8,10-11H2,1H3/t13-,14-/m0/s1.
What are the key properties of [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone?
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 336.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 45246459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).