[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone

C21H18N4O2 — CID 95225726

IUPAC[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone
SMILESO=C(c1coc(Cn2cnc3ccccc32)n1)N1CC[C@@H]1c1ccccc1
InChIInChI=1S/C21H18N4O2/c26-21(25-11-10-18(25)15-6-2-1-3-7-15)17-13-27-20(23-17)12-24-14-22-16-8-4-5-9-19(16)24/h1-9,13-14,18H,10-12H2/t18-/m1/s1
InChIKeyBDPRZTXTWVLPMV-GOSISDBHSA-N
MW358.40 g/mol
LogP3.66
Rot. Bonds4

About [2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone

[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone (PubChem CID 95225726) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is [2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone
PubChem CID95225726
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone
SMILESO=C(c1coc(Cn2cnc3ccccc32)n1)N1CC[C@@H]1c1ccccc1
InChIInChI=1S/C21H18N4O2/c26-21(25-11-10-18(25)15-6-2-1-3-7-15)17-13-27-20(23-17)12-24-14-22-16-8-4-5-9-19(16)24/h1-9,13-14,18H,10-12H2/t18-/m1/s1
InChIKeyBDPRZTXTWVLPMV-GOSISDBHSA-N
XLogP3.66
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[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
(2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 56714015
[2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-phenylazetidin-1-yl]methanone
CID 95214719
2-(benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide
CID 72859464
[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone
CID 139007662
[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45218773
2-(benzimidazol-1-ylmethyl)-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide
CID 45202288
2-(benzimidazol-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]-1,3-oxazole-4-carboxamide
CID 42198041
2-(benzimidazol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 45219502
2-(benzimidazol-1-ylmethyl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide
CID 42396338
5-(benzimidazol-1-ylmethyl)thiophene-2-carboxylic acid
CID 63378048
2-(benzimidazol-1-yl)-N,N-dicyclohexylacetamide
CID 856407

Frequently Asked Questions

What is the IUPAC name of [2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone?
The IUPAC name of [2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone (CID 95225726) is [2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone.
What is the SMILES notation for [2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone?
The canonical SMILES for [2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone is O=C(c1coc(Cn2cnc3ccccc32)n1)N1CC[C@@H]1c1ccccc1.
What is the InChIKey of [2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone?
The InChIKey is BDPRZTXTWVLPMV-GOSISDBHSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-21(25-11-10-18(25)15-6-2-1-3-7-15)17-13-27-20(23-17)12-24-14-22-16-8-4-5-9-19(16)24/h1-9,13-14,18H,10-12H2/t18-/m1/s1.
What are the key properties of [2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone?
[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone has a molecular weight of 358.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone is sourced from PubChem (CID 95225726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).