2-(1,3-dihydro-2-benzofuran-5-yl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole

C19H20N4O3 — CID 167920476

IUPAC2-(1,3-dihydro-2-benzofuran-5-yl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole
SMILESCn1ccnc1[C@@H]1OCCC[C@H]1c1nnc(-c2ccc3c(c2)COC3)o1
InChIInChI=1S/C19H20N4O3/c1-23-7-6-20-17(23)16-15(3-2-8-25-16)19-22-21-18(26-19)12-4-5-13-10-24-11-14(13)9-12/h4-7,9,15-16H,2-3,8,10-11H2,1H3/t15-,16-/m1/s1
InChIKeyLMVRSXDQUHBELU-HZPDHXFCSA-N
MW352.39 g/mol
LogP3.14
Rot. Bonds3

About 2-(1,3-dihydro-2-benzofuran-5-yl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole

2-(1,3-dihydro-2-benzofuran-5-yl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole (PubChem CID 167920476) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(1,3-dihydro-2-benzofuran-5-yl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,3-dihydro-2-benzofuran-5-yl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole
PubChem CID167920476
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-(1,3-dihydro-2-benzofuran-5-yl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole
SMILESCn1ccnc1[C@@H]1OCCC[C@H]1c1nnc(-c2ccc3c(c2)COC3)o1
InChIInChI=1S/C19H20N4O3/c1-23-7-6-20-17(23)16-15(3-2-8-25-16)19-22-21-18(26-19)12-4-5-13-10-24-11-14(13)9-12/h4-7,9,15-16H,2-3,8,10-11H2,1H3/t15-,16-/m1/s1
InChIKeyLMVRSXDQUHBELU-HZPDHXFCSA-N
XLogP3.14
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-benzodioxol-4-yl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole
CID 154762091
2-(3-ethyl-4-pyridinyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole
CID 154762087
2-(2,2-dicyclopropylethenyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole
CID 154801621
2-(1,3-benzodioxol-5-yl)-5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]-1,3,4-oxadiazole
CID 167769847
2-(2-ethylpyrazol-3-yl)-5-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1,3,4-oxadiazole
CID 154794275
(2R,3R)-2-(1-methylimidazol-2-yl)oxane-3-carboxylic acid;hydrochloride
CID 155858673
N-[(5-bromofuran-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
CID 167805309
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]oxan-3-amine
CID 128992705
[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 75398360
(2S,3S)-N-[(2-bromo-5-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 128993709
[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 63742857
4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine
CID 154761150

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-yl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-yl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole (CID 167920476) is 2-(1,3-dihydro-2-benzofuran-5-yl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,3-dihydro-2-benzofuran-5-yl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,3-dihydro-2-benzofuran-5-yl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole is Cn1ccnc1[C@@H]1OCCC[C@H]1c1nnc(-c2ccc3c(c2)COC3)o1.
What is the InChIKey of 2-(1,3-dihydro-2-benzofuran-5-yl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole?
The InChIKey is LMVRSXDQUHBELU-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-23-7-6-20-17(23)16-15(3-2-8-25-16)19-22-21-18(26-19)12-4-5-13-10-24-11-14(13)9-12/h4-7,9,15-16H,2-3,8,10-11H2,1H3/t15-,16-/m1/s1.
What are the key properties of 2-(1,3-dihydro-2-benzofuran-5-yl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole?
2-(1,3-dihydro-2-benzofuran-5-yl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole has a molecular weight of 352.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydro-2-benzofuran-5-yl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 167920476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).