3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(1-methoxy-1-phenylethyl)-1,2,4-oxadiazole

C19H26N2O3 — CID 164631401

IUPAC3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(1-methoxy-1-phenylethyl)-1,2,4-oxadiazole
SMILESCOC(C)(c1ccccc1)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1
InChIInChI=1S/C19H26N2O3/c1-18(2,3)15-14(11-12-23-15)16-20-17(24-21-16)19(4,22-5)13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3/t14-,15-,19?/m0/s1
InChIKeyGKUJMPPFHIPHMV-YIYRCGFGSA-N
MW330.43 g/mol
LogP3.90
Rot. Bonds4

About 3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(1-methoxy-1-phenylethyl)-1,2,4-oxadiazole

3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(1-methoxy-1-phenylethyl)-1,2,4-oxadiazole (PubChem CID 164631401) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(1-methoxy-1-phenylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(1-methoxy-1-phenylethyl)-1,2,4-oxadiazole
PubChem CID164631401
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(1-methoxy-1-phenylethyl)-1,2,4-oxadiazole
SMILESCOC(C)(c1ccccc1)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1
InChIInChI=1S/C19H26N2O3/c1-18(2,3)15-14(11-12-23-15)16-20-17(24-21-16)19(4,22-5)13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3/t14-,15-,19?/m0/s1
InChIKeyGKUJMPPFHIPHMV-YIYRCGFGSA-N
XLogP3.90
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(1-methoxy-1-phenylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(1-methoxy-1-phenylethyl)-1,2,4-oxadiazole (CID 164631401) is 3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(1-methoxy-1-phenylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(1-methoxy-1-phenylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(1-methoxy-1-phenylethyl)-1,2,4-oxadiazole is COC(C)(c1ccccc1)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1.
What is the InChIKey of 3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(1-methoxy-1-phenylethyl)-1,2,4-oxadiazole?
The InChIKey is GKUJMPPFHIPHMV-YIYRCGFGSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-18(2,3)15-14(11-12-23-15)16-20-17(24-21-16)19(4,22-5)13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3/t14-,15-,19?/m0/s1.
What are the key properties of 3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(1-methoxy-1-phenylethyl)-1,2,4-oxadiazole?
3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(1-methoxy-1-phenylethyl)-1,2,4-oxadiazole has a molecular weight of 330.43 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(1-methoxy-1-phenylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 164631401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).