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

C19H16N4O3S — CID 33078666

IUPAC(4-pyrazol-1-ylphenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESO=C(CCc1nc(-c2ccsc2)no1)OCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H16N4O3S/c24-18(7-6-17-21-19(22-26-17)15-8-11-27-13-15)25-12-14-2-4-16(5-3-14)23-10-1-9-20-23/h1-5,8-11,13H,6-7,12H2
InChIKeyZKXONRBXNRVSIZ-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.66
Rot. Bonds7

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

(4-pyrazol-1-ylphenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate (PubChem CID 33078666) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is (4-pyrazol-1-ylphenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate.

Molecular Properties

Compound Name(4-pyrazol-1-ylphenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
PubChem CID33078666
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name(4-pyrazol-1-ylphenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESO=C(CCc1nc(-c2ccsc2)no1)OCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H16N4O3S/c24-18(7-6-17-21-19(22-26-17)15-8-11-27-13-15)25-12-14-2-4-16(5-3-14)23-10-1-9-20-23/h1-5,8-11,13H,6-7,12H2
InChIKeyZKXONRBXNRVSIZ-UHFFFAOYSA-N
XLogP3.66
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(4-oxo-3H-quinazolin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 135815771
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 38178559
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(pyrimidin-2-ylamino)propanoate
CID 55701238
(4-pyrazol-1-ylphenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate
CID 16569520
4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 43627834
N-[2-(4-fluorophenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9080782
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 8967203
1-thiomorpholin-4-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 56813515
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 55476823
methyl 3-[3-[4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 22343336
1-(2-methylpiperidin-1-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 24537574
N-cyclopentyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylphenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate?
The IUPAC name of (4-pyrazol-1-ylphenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate (CID 33078666) is (4-pyrazol-1-ylphenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate.
What is the SMILES notation for (4-pyrazol-1-ylphenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate?
The canonical SMILES for (4-pyrazol-1-ylphenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate is O=C(CCc1nc(-c2ccsc2)no1)OCc1ccc(-n2cccn2)cc1.
What is the InChIKey of (4-pyrazol-1-ylphenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate?
The InChIKey is ZKXONRBXNRVSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c24-18(7-6-17-21-19(22-26-17)15-8-11-27-13-15)25-12-14-2-4-16(5-3-14)23-10-1-9-20-23/h1-5,8-11,13H,6-7,12H2.
What are the key properties of (4-pyrazol-1-ylphenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate?
(4-pyrazol-1-ylphenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate has a molecular weight of 380.43 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylphenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate is sourced from PubChem (CID 33078666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).