N-(2-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

C28H24N4O2S — CID 112795876

IUPACN-(2-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccccc2)o1)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C28H24N4O2S/c33-26(17-16-25-30-31-27(34-25)23-14-8-3-9-15-23)32(19-18-21-10-4-1-5-11-21)28-29-24(20-35-28)22-12-6-2-7-13-22/h1-15,20H,16-19H2
InChIKeyQFEVPDNLEXCAJG-UHFFFAOYSA-N
MW480.59 g/mol
LogP6.07
Rot. Bonds9

About N-(2-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

N-(2-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 112795876) has the molecular formula C28H24N4O2S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID112795876
Molecular FormulaC28H24N4O2S
Molecular Weight480.59 g/mol
Exact Mass480.16
IUPAC NameN-(2-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccccc2)o1)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C28H24N4O2S/c33-26(17-16-25-30-31-27(34-25)23-14-8-3-9-15-23)32(19-18-21-10-4-1-5-11-21)28-29-24(20-35-28)22-12-6-2-7-13-22/h1-15,20H,16-19H2
InChIKeyQFEVPDNLEXCAJG-UHFFFAOYSA-N
XLogP6.07
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
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3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(2-phenylethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(2-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 112795876) is N-(2-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(2-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(2-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is O=C(CCc1nnc(-c2ccccc2)o1)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(2-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is QFEVPDNLEXCAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2S/c33-26(17-16-25-30-31-27(34-25)23-14-8-3-9-15-23)32(19-18-21-10-4-1-5-11-21)28-29-24(20-35-28)22-12-6-2-7-13-22/h1-15,20H,16-19H2.
What are the key properties of N-(2-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
N-(2-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 480.59 g/mol, XLogP of 6.07, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 112795876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).