1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-phenylimidazol-1-yl)ethanone

C18H19N5O2 — CID 50960775

IUPAC1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-phenylimidazol-1-yl)ethanone
SMILESCc1nonc1C1CCCN1C(=O)Cn1ccnc1-c1ccccc1
InChIInChI=1S/C18H19N5O2/c1-13-17(21-25-20-13)15-8-5-10-23(15)16(24)12-22-11-9-19-18(22)14-6-3-2-4-7-14/h2-4,6-7,9,11,15H,5,8,10,12H2,1H3
InChIKeyHNUUORRSMBIALM-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.61
Rot. Bonds4

About 1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-phenylimidazol-1-yl)ethanone

1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-phenylimidazol-1-yl)ethanone (PubChem CID 50960775) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-phenylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-phenylimidazol-1-yl)ethanone
PubChem CID50960775
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-phenylimidazol-1-yl)ethanone
SMILESCc1nonc1C1CCCN1C(=O)Cn1ccnc1-c1ccccc1
InChIInChI=1S/C18H19N5O2/c1-13-17(21-25-20-13)15-8-5-10-23(15)16(24)12-22-11-9-19-18(22)14-6-3-2-4-7-14/h2-4,6-7,9,11,15H,5,8,10,12H2,1H3
InChIKeyHNUUORRSMBIALM-UHFFFAOYSA-N
XLogP2.61
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-phenylimidazol-1-yl)-1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 72905209
2-(2-phenylimidazol-1-yl)-1-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 97121325
3-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 50980068
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one
CID 61071787
1-[(4aR,7aS)-1-ethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-2-(2-phenylimidazol-1-yl)ethanone
CID 72843736
1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492944
1-[2-oxo-2-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]pyrimidin-2-one
CID 97118253
1-(azepan-1-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494396
[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
1-phenyl-2-(2-phenylimidazol-1-yl)ethanone
CID 61069382
1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone
CID 72925608

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-phenylimidazol-1-yl)ethanone?
The IUPAC name of 1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-phenylimidazol-1-yl)ethanone (CID 50960775) is 1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-phenylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-phenylimidazol-1-yl)ethanone?
The canonical SMILES for 1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-phenylimidazol-1-yl)ethanone is Cc1nonc1C1CCCN1C(=O)Cn1ccnc1-c1ccccc1.
What is the InChIKey of 1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-phenylimidazol-1-yl)ethanone?
The InChIKey is HNUUORRSMBIALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13-17(21-25-20-13)15-8-5-10-23(15)16(24)12-22-11-9-19-18(22)14-6-3-2-4-7-14/h2-4,6-7,9,11,15H,5,8,10,12H2,1H3.
What are the key properties of 1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-phenylimidazol-1-yl)ethanone?
1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-phenylimidazol-1-yl)ethanone has a molecular weight of 337.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-phenylimidazol-1-yl)ethanone is sourced from PubChem (CID 50960775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).