6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole

C14H14N4O — CID 116877525

IUPAC6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole
SMILESc1nc2ccc(-c3cnc(C4CCCN4)[nH]3)cc2o1
InChIInChI=1S/C14H14N4O/c1-2-11(15-5-1)14-16-7-12(18-14)9-3-4-10-13(6-9)19-8-17-10/h3-4,6-8,11,15H,1-2,5H2,(H,16,18)
InChIKeyAZFFDVGWFYNLIX-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.64
Rot. Bonds2

About 6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole

6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole (PubChem CID 116877525) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole
PubChem CID116877525
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole
SMILESc1nc2ccc(-c3cnc(C4CCCN4)[nH]3)cc2o1
InChIInChI=1S/C14H14N4O/c1-2-11(15-5-1)14-16-7-12(18-14)9-3-4-10-13(6-9)19-8-17-10/h3-4,6-8,11,15H,1-2,5H2,(H,16,18)
InChIKeyAZFFDVGWFYNLIX-UHFFFAOYSA-N
XLogP2.64
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-yl-1H-imidazole
CID 43650666
2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole
CID 77449174
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole
CID 59450040
3-methoxy-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinoxaline
CID 57462084
2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
CID 67003843
2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]azepane
CID 64570784
2-[(2S)-pyrrolidin-2-yl]-5-[9,9,10,10-tetrafluoro-7-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenanthren-2-yl]-1H-imidazole
CID 118220423
[2-[2-(hydroxymethyl)-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]-5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]methanol
CID 91336043
2-pyrrolidin-2-yl-5-[9,9,10,10-tetrafluoro-7-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenanthren-2-yl]-1H-imidazole
CID 144878023
4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
CID 43650678
6-methyl-3,9-bis(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-5,7-dihydrobenzo[d][2]benzazepine
CID 66620578

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole?
The IUPAC name of 6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole (CID 116877525) is 6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole is c1nc2ccc(-c3cnc(C4CCCN4)[nH]3)cc2o1.
What is the InChIKey of 6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole?
The InChIKey is AZFFDVGWFYNLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-11(15-5-1)14-16-7-12(18-14)9-3-4-10-13(6-9)19-8-17-10/h3-4,6-8,11,15H,1-2,5H2,(H,16,18).
What are the key properties of 6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole?
6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole has a molecular weight of 254.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 116877525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).