N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

C18H25N5O2 — CID 118788969

IUPACN-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc2c(c1C(=O)NCc1nc(C3CCCCC3)no1)CCCC2
InChIInChI=1S/C18H25N5O2/c1-23-16(13-9-5-6-10-14(13)21-23)18(24)19-11-15-20-17(22-25-15)12-7-3-2-4-8-12/h12H,2-11H2,1H3,(H,19,24)
InChIKeyJEZJAQXHRMHHRU-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.66
Rot. Bonds4

About N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 118788969) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID118788969
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc2c(c1C(=O)NCc1nc(C3CCCCC3)no1)CCCC2
InChIInChI=1S/C18H25N5O2/c1-23-16(13-9-5-6-10-14(13)21-23)18(24)19-11-15-20-17(22-25-15)12-7-3-2-4-8-12/h12H,2-11H2,1H3,(H,19,24)
InChIKeyJEZJAQXHRMHHRU-UHFFFAOYSA-N
XLogP2.66
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
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1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methyl-2-propylpyrazol-3-yl)urea
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(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
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N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
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N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide
CID 118788592
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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 118788969) is N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is Cn1nc2c(c1C(=O)NCc1nc(C3CCCCC3)no1)CCCC2.
What is the InChIKey of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is JEZJAQXHRMHHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-23-16(13-9-5-6-10-14(13)21-23)18(24)19-11-15-20-17(22-25-15)12-7-3-2-4-8-12/h12H,2-11H2,1H3,(H,19,24).
What are the key properties of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 118788969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).