N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide

C24H25N5O2S — CID 55691033

IUPACN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESO=C(CCCc1nc(-c2cccs2)no1)NC1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C24H25N5O2S/c30-22(12-5-13-23-27-24(28-31-23)21-11-6-14-32-21)26-19-9-4-10-20-18(19)15-25-29(20)16-17-7-2-1-3-8-17/h1-3,6-8,11,14-15,19H,4-5,9-10,12-13,16H2,(H,26,30)
InChIKeyJUQPIKSRRPPYBM-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.56
Rot. Bonds8

About N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55691033) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID55691033
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESO=C(CCCc1nc(-c2cccs2)no1)NC1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C24H25N5O2S/c30-22(12-5-13-23-27-24(28-31-23)21-11-6-14-32-21)26-19-9-4-10-20-18(19)15-25-29(20)16-17-7-2-1-3-8-17/h1-3,6-8,11,14-15,19H,4-5,9-10,12-13,16H2,(H,26,30)
InChIKeyJUQPIKSRRPPYBM-UHFFFAOYSA-N
XLogP4.56
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
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N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide
CID 167746657
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
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CID 55622470
N-piperidin-3-yl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 119429004
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
N-(4-aminocyclohexyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119478867
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86944281
N-(1,1-dioxothiolan-3-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 46453480
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CID 110236779
N-(1-methylsulfonylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 55691033) is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide is O=C(CCCc1nc(-c2cccs2)no1)NC1CCCc2c1cnn2Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is JUQPIKSRRPPYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c30-22(12-5-13-23-27-24(28-31-23)21-11-6-14-32-21)26-19-9-4-10-20-18(19)15-25-29(20)16-17-7-2-1-3-8-17/h1-3,6-8,11,14-15,19H,4-5,9-10,12-13,16H2,(H,26,30).
What are the key properties of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 447.56 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55691033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).