N-cyclopropyl-4-(1,2,4-oxadiazol-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide

C19H19N5O2 — CID 90382059

IUPACN-cyclopropyl-4-(1,2,4-oxadiazol-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
SMILESO=C(c1ccc(-c2ncon2)cc1)N(C1CC1)C1CCc2[nH]ncc2C1
InChIInChI=1S/C19H19N5O2/c25-19(13-3-1-12(2-4-13)18-20-11-26-23-18)24(15-5-6-15)16-7-8-17-14(9-16)10-21-22-17/h1-4,10-11,15-16H,5-9H2,(H,21,22)
InChIKeyGBQGWTSAKARGMA-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.62
Rot. Bonds4

About N-cyclopropyl-4-(1,2,4-oxadiazol-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide

N-cyclopropyl-4-(1,2,4-oxadiazol-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide (PubChem CID 90382059) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-cyclopropyl-4-(1,2,4-oxadiazol-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(1,2,4-oxadiazol-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
PubChem CID90382059
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-cyclopropyl-4-(1,2,4-oxadiazol-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
SMILESO=C(c1ccc(-c2ncon2)cc1)N(C1CC1)C1CCc2[nH]ncc2C1
InChIInChI=1S/C19H19N5O2/c25-19(13-3-1-12(2-4-13)18-20-11-26-23-18)24(15-5-6-15)16-7-8-17-14(9-16)10-21-22-17/h1-4,10-11,15-16H,5-9H2,(H,21,22)
InChIKeyGBQGWTSAKARGMA-UHFFFAOYSA-N
XLogP2.62
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-fluorophenyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 70733167
5-(2-fluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 86783591
5-(2-fluorophenyl)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 97857802
5-(2-fluorophenyl)-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 97857803
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 100675934
N-[4-(1,2,4-oxadiazol-3-yl)benzyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 132423597
Tert-butyl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90379245
N-cyclopropyl-4-pyrimidin-5-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 90381970
Propan-2-yl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 129300658
N-cyclopropyl-N-[1-[4-(1,2,4-oxadiazol-3-yl)phenyl]ethenyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 145563373
[4-(5-Tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-(4,5,6,7-tetrahydroindazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
CID 166083914
[4-(5-Tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-(4,5,6,7-tetrahydroindazol-2-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
CID 166083961

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(1,2,4-oxadiazol-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-(1,2,4-oxadiazol-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide (CID 90382059) is N-cyclopropyl-4-(1,2,4-oxadiazol-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(1,2,4-oxadiazol-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(1,2,4-oxadiazol-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide is O=C(c1ccc(-c2ncon2)cc1)N(C1CC1)C1CCc2[nH]ncc2C1.
What is the InChIKey of N-cyclopropyl-4-(1,2,4-oxadiazol-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The InChIKey is GBQGWTSAKARGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-19(13-3-1-12(2-4-13)18-20-11-26-23-18)24(15-5-6-15)16-7-8-17-14(9-16)10-21-22-17/h1-4,10-11,15-16H,5-9H2,(H,21,22).
What are the key properties of N-cyclopropyl-4-(1,2,4-oxadiazol-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
N-cyclopropyl-4-(1,2,4-oxadiazol-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide has a molecular weight of 349.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(1,2,4-oxadiazol-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide is sourced from PubChem (CID 90382059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).