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

C32H32N4O5 — CID 67374878

IUPAC5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1noc(C)n1
InChIInChI=1S/C32H32N4O5/c1-5-33-32(37)29-28(31-34-21(4)40-36-31)30(41-35-29)25-16-24(20(2)3)26(38-18-22-12-8-6-9-13-22)17-27(25)39-19-23-14-10-7-11-15-23/h6-17,20H,5,18-19H2,1-4H3,(H,33,37)
InChIKeySPNKBYWAOZXKEE-UHFFFAOYSA-N
MW552.63 g/mol
LogP6.73
Rot. Bonds11

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

5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 67374878) has the molecular formula C32H32N4O5 and a molecular weight of 552.63 g/mol. Its IUPAC name is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-methyl-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-methyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID67374878
Molecular FormulaC32H32N4O5
Molecular Weight552.63 g/mol
Exact Mass552.24
IUPAC Name5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1noc(C)n1
InChIInChI=1S/C32H32N4O5/c1-5-33-32(37)29-28(31-34-21(4)40-36-31)30(41-35-29)25-16-24(20(2)3)26(38-18-22-12-8-6-9-13-22)17-27(25)39-19-23-14-10-7-11-15-23/h6-17,20H,5,18-19H2,1-4H3,(H,33,37)
InChIKeySPNKBYWAOZXKEE-UHFFFAOYSA-N
XLogP6.73
TPSA112.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.63
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-methyl-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-methyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide (CID 67374878) is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-methyl-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-methyl-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-methyl-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)n1.
What is the InChIKey of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is SPNKBYWAOZXKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O5/c1-5-33-32(37)29-28(31-34-21(4)40-36-31)30(41-35-29)25-16-24(20(2)3)26(38-18-22-12-8-6-9-13-22)17-27(25)39-19-23-14-10-7-11-15-23/h6-17,20H,5,18-19H2,1-4H3,(H,33,37).
What are the key properties of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide?
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 552.63 g/mol, XLogP of 6.73, 11 rotatable bonds, 1 hydrogen bond donors, and 8 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-methyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 67374878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).