5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide

C36H37N5O6 — CID 67374957

IUPAC5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1noc(C(=O)N2CCCC2)n1
InChIInChI=1S/C36H37N5O6/c1-4-37-34(42)31-30(33-38-35(47-40-33)36(43)41-17-11-12-18-41)32(46-39-31)27-19-26(23(2)3)28(44-21-24-13-7-5-8-14-24)20-29(27)45-22-25-15-9-6-10-16-25/h5-10,13-16,19-20,23H,4,11-12,17-18,21-22H2,1-3H3,(H,37,42)
InChIKeyIQGUNIGYXJQZEI-UHFFFAOYSA-N
MW635.72 g/mol
LogP6.66
Rot. Bonds12

About 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide

5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 67374957) has the molecular formula C36H37N5O6 and a molecular weight of 635.72 g/mol. Its IUPAC name is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID67374957
Molecular FormulaC36H37N5O6
Molecular Weight635.72 g/mol
Exact Mass635.27
IUPAC Name5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1noc(C(=O)N2CCCC2)n1
InChIInChI=1S/C36H37N5O6/c1-4-37-34(42)31-30(33-38-35(47-40-33)36(43)41-17-11-12-18-41)32(46-39-31)27-19-26(23(2)3)28(44-21-24-13-7-5-8-14-24)20-29(27)45-22-25-15-9-6-10-16-25/h5-10,13-16,19-20,23H,4,11-12,17-18,21-22H2,1-3H3,(H,37,42)
InChIKeyIQGUNIGYXJQZEI-UHFFFAOYSA-N
XLogP6.66
TPSA132.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.72
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide (CID 67374957) is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide is CCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1noc(C(=O)N2CCCC2)n1.
What is the InChIKey of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is IQGUNIGYXJQZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N5O6/c1-4-37-34(42)31-30(33-38-35(47-40-33)36(43)41-17-11-12-18-41)32(46-39-31)27-19-26(23(2)3)28(44-21-24-13-7-5-8-14-24)20-29(27)45-22-25-15-9-6-10-16-25/h5-10,13-16,19-20,23H,4,11-12,17-18,21-22H2,1-3H3,(H,37,42).
What are the key properties of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide?
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 635.72 g/mol, XLogP of 6.66, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 67374957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).