N-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide

C27H26N2O4 — CID 35133566

IUPACN-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)N(Cc3ccccc3)c3ccc(OCC)cc3)no2)cc1
InChIInChI=1S/C27H26N2O4/c1-3-31-23-14-10-21(11-15-23)26-18-25(28-33-26)27(30)29(19-20-8-6-5-7-9-20)22-12-16-24(17-13-22)32-4-2/h5-18H,3-4,19H2,1-2H3
InChIKeySHMPJAQUCCMFCY-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.99
Rot. Bonds9

About N-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide

N-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 35133566) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID35133566
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC NameN-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)N(Cc3ccccc3)c3ccc(OCC)cc3)no2)cc1
InChIInChI=1S/C27H26N2O4/c1-3-31-23-14-10-21(11-15-23)26-18-25(28-33-26)27(30)29(19-20-8-6-5-7-9-20)22-12-16-24(17-13-22)32-4-2/h5-18H,3-4,19H2,1-2H3
InChIKeySHMPJAQUCCMFCY-UHFFFAOYSA-N
XLogP5.99
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 6621305
N-[(4-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 23613551
N-[(2S)-2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 35582660
5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 54846814
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-phenyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 43987065
N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 39428449
5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 54846850
N-(1,1-dioxothiolan-3-yl)-5-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 17014447
N-[(4-tert-butylphenyl)methyl]-5-phenyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 139583066
5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 54846705
5-(4-ethoxyphenyl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 39866513
N-[(3R)-1,1-dioxothiolan-3-yl]-5-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 35180514

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide (CID 35133566) is N-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide is CCOc1ccc(-c2cc(C(=O)N(Cc3ccccc3)c3ccc(OCC)cc3)no2)cc1.
What is the InChIKey of N-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SHMPJAQUCCMFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-3-31-23-14-10-21(11-15-23)26-18-25(28-33-26)27(30)29(19-20-8-6-5-7-9-20)22-12-16-24(17-13-22)32-4-2/h5-18H,3-4,19H2,1-2H3.
What are the key properties of N-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide?
N-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 5.99, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 35133566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).