2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide

C23H23N5O3 — CID 72718530

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCCn1nc(-c2ccccn2)c2c1CCCC2
InChIInChI=1S/C23H23N5O3/c29-21(15-27-19-10-3-4-11-20(19)31-23(27)30)25-13-14-28-18-9-2-1-7-16(18)22(26-28)17-8-5-6-12-24-17/h3-6,8,10-12H,1-2,7,9,13-15H2,(H,25,29)
InChIKeyJKBUWLHRVGLNFV-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.55
Rot. Bonds6

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide (PubChem CID 72718530) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
PubChem CID72718530
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCCn1nc(-c2ccccn2)c2c1CCCC2
InChIInChI=1S/C23H23N5O3/c29-21(15-27-19-10-3-4-11-20(19)31-23(27)30)25-13-14-28-18-9-2-1-7-16(18)22(26-28)17-8-5-6-12-24-17/h3-6,8,10-12H,1-2,7,9,13-15H2,(H,25,29)
InChIKeyJKBUWLHRVGLNFV-UHFFFAOYSA-N
XLogP2.55
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide
CID 90614473
2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
CID 90614565
2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
CID 90614552
1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea
CID 90614701
N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-9H-xanthene-9-carboxamide
CID 90614568
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide
CID 71808214
2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90614470
N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90614593
1-bromo-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90614605
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 121059236
5-chloro-2-nitro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90614544
methyl 4-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethylsulfamoyl]benzoate
CID 72718545

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide (CID 72718530) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide is O=C(Cn1c(=O)oc2ccccc21)NCCn1nc(-c2ccccn2)c2c1CCCC2.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide?
The InChIKey is JKBUWLHRVGLNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c29-21(15-27-19-10-3-4-11-20(19)31-23(27)30)25-13-14-28-18-9-2-1-7-16(18)22(26-28)17-8-5-6-12-24-17/h3-6,8,10-12H,1-2,7,9,13-15H2,(H,25,29).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide has a molecular weight of 417.47 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 72718530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).