N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide

C19H21N5O2 — CID 67273746

IUPACN-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide
SMILESCN1[C@@H]2CC[C@H]1CC(NC(=O)c1n[nH]c3cc(-c4ncco4)ccc13)C2
InChIInChI=1S/C19H21N5O2/c1-24-13-3-4-14(24)10-12(9-13)21-18(25)17-15-5-2-11(8-16(15)22-23-17)19-20-6-7-26-19/h2,5-8,12-14H,3-4,9-10H2,1H3,(H,21,25)(H,22,23)/t12?,13-,14+
InChIKeyBADYLWJEIFSMFR-AGUYFDCRSA-N
MW351.41 g/mol
LogP2.57
Rot. Bonds3

About N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide

N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide (PubChem CID 67273746) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide
PubChem CID67273746
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide
SMILESCN1[C@@H]2CC[C@H]1CC(NC(=O)c1n[nH]c3cc(-c4ncco4)ccc13)C2
InChIInChI=1S/C19H21N5O2/c1-24-13-3-4-14(24)10-12(9-13)21-18(25)17-15-5-2-11(8-16(15)22-23-17)19-20-6-7-26-19/h2,5-8,12-14H,3-4,9-10H2,1H3,(H,21,25)(H,22,23)/t12?,13-,14+
InChIKeyBADYLWJEIFSMFR-AGUYFDCRSA-N
XLogP2.57
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide (CID 67273746) is N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide is CN1[C@@H]2CC[C@H]1CC(NC(=O)c1n[nH]c3cc(-c4ncco4)ccc13)C2.
What is the InChIKey of N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide?
The InChIKey is BADYLWJEIFSMFR-AGUYFDCRSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-24-13-3-4-14(24)10-12(9-13)21-18(25)17-15-5-2-11(8-16(15)22-23-17)19-20-6-7-26-19/h2,5-8,12-14H,3-4,9-10H2,1H3,(H,21,25)(H,22,23)/t12?,13-,14+.
What are the key properties of N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide?
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 67273746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).