N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C16H23N5O2 — CID 110632704

IUPACN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC(C)(C)c1nc(CCNC(=O)c2n[nH]c3c2CCCC3)no1
InChIInChI=1S/C16H23N5O2/c1-16(2,3)15-18-12(21-23-15)8-9-17-14(22)13-10-6-4-5-7-11(10)19-20-13/h4-9H2,1-3H3,(H,17,22)(H,19,20)
InChIKeyFCDWNDGWEHEHOM-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.94
Rot. Bonds4

About N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 110632704) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID110632704
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC(C)(C)c1nc(CCNC(=O)c2n[nH]c3c2CCCC3)no1
InChIInChI=1S/C16H23N5O2/c1-16(2,3)15-18-12(21-23-15)8-9-17-14(22)13-10-6-4-5-7-11(10)19-20-13/h4-9H2,1-3H3,(H,17,22)(H,19,20)
InChIKeyFCDWNDGWEHEHOM-UHFFFAOYSA-N
XLogP1.94
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 110632704) is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CC(C)(C)c1nc(CCNC(=O)c2n[nH]c3c2CCCC3)no1.
What is the InChIKey of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is FCDWNDGWEHEHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-16(2,3)15-18-12(21-23-15)8-9-17-14(22)13-10-6-4-5-7-11(10)19-20-13/h4-9H2,1-3H3,(H,17,22)(H,19,20).
What are the key properties of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 110632704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).