[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

C19H18N6O3 — CID 25275406

IUPAC[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nonc1[C@@H]1CCCN1C(=O)c1coc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C19H18N6O3/c1-12-18(23-28-22-12)16-7-4-8-25(16)19(26)14-10-27-17(21-14)9-24-11-20-13-5-2-3-6-15(13)24/h2-3,5-6,10-11,16H,4,7-9H2,1H3/t16-/m0/s1
InChIKeyOFPRJAZCXUTESP-INIZCTEOSA-N
MW378.39 g/mol
LogP2.74
Rot. Bonds4

About [2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 25275406) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is [2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID25275406
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nonc1[C@@H]1CCCN1C(=O)c1coc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C19H18N6O3/c1-12-18(23-28-22-12)16-7-4-8-25(16)19(26)14-10-27-17(21-14)9-24-11-20-13-5-2-3-6-15(13)24/h2-3,5-6,10-11,16H,4,7-9H2,1H3/t16-/m0/s1
InChIKeyOFPRJAZCXUTESP-INIZCTEOSA-N
XLogP2.74
TPSA103.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone
CID 95225726
[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone
CID 139007662
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 45246582
2-(benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide
CID 72859464
1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-phenylimidazol-1-yl)ethanone
CID 50960775
2-(benzimidazol-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]-1,3-oxazole-4-carboxamide
CID 42198041
2-(benzimidazol-1-ylmethyl)-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide
CID 45202288
2-(benzimidazol-1-ylmethyl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide
CID 42396338
ethyl 2-[4-(benzimidazol-1-ylmethyl)cyclohexyl]-1,3-oxazole-4-carboxylate
CID 59468703
3-(benzimidazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]propan-1-one
CID 124957910
3-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 50980068
2-(benzimidazol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 45219502

Frequently Asked Questions

What is the IUPAC name of [2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 25275406) is [2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is Cc1nonc1[C@@H]1CCCN1C(=O)c1coc(Cn2cnc3ccccc32)n1.
What is the InChIKey of [2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is OFPRJAZCXUTESP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-12-18(23-28-22-12)16-7-4-8-25(16)19(26)14-10-27-17(21-14)9-24-11-20-13-5-2-3-6-15(13)24/h2-3,5-6,10-11,16H,4,7-9H2,1H3/t16-/m0/s1.
What are the key properties of [2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 378.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 25275406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).