(4-phenylphenyl)methyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate

C22H18N2O3S — CID 34485693

IUPAC(4-phenylphenyl)methyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate
SMILESO=C(CCc1nnc(-c2ccsc2)o1)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O3S/c25-21(11-10-20-23-24-22(27-20)19-12-13-28-15-19)26-14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,12-13,15H,10-11,14H2
InChIKeyPCVCSAFWHYLEIN-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.14
Rot. Bonds7

About (4-phenylphenyl)methyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate

(4-phenylphenyl)methyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate (PubChem CID 34485693) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is (4-phenylphenyl)methyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate
PubChem CID34485693
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC Name(4-phenylphenyl)methyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate
SMILESO=C(CCc1nnc(-c2ccsc2)o1)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O3S/c25-21(11-10-20-23-24-22(27-20)19-12-13-28-15-19)26-14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,12-13,15H,10-11,14H2
InChIKeyPCVCSAFWHYLEIN-UHFFFAOYSA-N
XLogP5.14
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(benzylcarbamoyl)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate
CID 55549622
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 42567051
N-[(4-methylphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38039853
N-ethyl-N-phenyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51076251
2-benzyl-5-thiophen-3-yl-1,3,4-oxadiazole
CID 29132376
1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 38073005
2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid
CID 119228121
1,3-diphenyl-N'-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrazole-4-carbohydrazide
CID 38003509
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38263182
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-phenylsulfanylpropanoate
CID 78760954
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886384
N-[(1-phenylcyclopentyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38139231

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate?
The IUPAC name of (4-phenylphenyl)methyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate (CID 34485693) is (4-phenylphenyl)methyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate.
What is the SMILES notation for (4-phenylphenyl)methyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate?
The canonical SMILES for (4-phenylphenyl)methyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate is O=C(CCc1nnc(-c2ccsc2)o1)OCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl)methyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate?
The InChIKey is PCVCSAFWHYLEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c25-21(11-10-20-23-24-22(27-20)19-12-13-28-15-19)26-14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,12-13,15H,10-11,14H2.
What are the key properties of (4-phenylphenyl)methyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate?
(4-phenylphenyl)methyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate has a molecular weight of 390.46 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate is sourced from PubChem (CID 34485693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).