N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide

C32H27FN2O4 — CID 24774116

IUPACN-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2cc(-c3ccccc3F)c(OCc3ccccc3)cc2OCc2ccccc2)on1
InChIInChI=1S/C32H27FN2O4/c1-2-34-32(36)28-18-31(39-35-28)26-17-25(24-15-9-10-16-27(24)33)29(37-20-22-11-5-3-6-12-22)19-30(26)38-21-23-13-7-4-8-14-23/h3-19H,2,20-21H2,1H3,(H,34,36)
InChIKeyURXBEAQBCASXMW-UHFFFAOYSA-N
MW522.58 g/mol
LogP7.06
Rot. Bonds10

About N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide

N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 24774116) has the molecular formula C32H27FN2O4 and a molecular weight of 522.58 g/mol. Its IUPAC name is N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID24774116
Molecular FormulaC32H27FN2O4
Molecular Weight522.58 g/mol
Exact Mass522.20
IUPAC NameN-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2cc(-c3ccccc3F)c(OCc3ccccc3)cc2OCc2ccccc2)on1
InChIInChI=1S/C32H27FN2O4/c1-2-34-32(36)28-18-31(39-35-28)26-17-25(24-15-9-10-16-27(24)33)29(37-20-22-11-5-3-6-12-22)19-30(26)38-21-23-13-7-4-8-14-23/h3-19H,2,20-21H2,1H3,(H,34,36)
InChIKeyURXBEAQBCASXMW-UHFFFAOYSA-N
XLogP7.06
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.58
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide (CID 24774116) is N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide is CCNC(=O)c1cc(-c2cc(-c3ccccc3F)c(OCc3ccccc3)cc2OCc2ccccc2)on1.
What is the InChIKey of N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is URXBEAQBCASXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27FN2O4/c1-2-34-32(36)28-18-31(39-35-28)26-17-25(24-15-9-10-16-27(24)33)29(37-20-22-11-5-3-6-12-22)19-30(26)38-21-23-13-7-4-8-14-23/h3-19H,2,20-21H2,1H3,(H,34,36).
What are the key properties of N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide?
N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 522.58 g/mol, XLogP of 7.06, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24774116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).