2-propan-2-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one

C17H21N3O2 — CID 51361320

IUPAC2-propan-2-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one
SMILESCC(C)c1cc(Cn2c3ccccc3c(=O)n2C(C)C)on1
InChIInChI=1S/C17H21N3O2/c1-11(2)15-9-13(22-18-15)10-19-16-8-6-5-7-14(16)17(21)20(19)12(3)4/h5-9,11-12H,10H2,1-4H3
InChIKeyDWCZJPOJLAKQST-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.54
Rot. Bonds4

About 2-propan-2-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one

2-propan-2-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one (PubChem CID 51361320) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-propan-2-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one.

Molecular Properties

Compound Name2-propan-2-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one
PubChem CID51361320
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-propan-2-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one
SMILESCC(C)c1cc(Cn2c3ccccc3c(=O)n2C(C)C)on1
InChIInChI=1S/C17H21N3O2/c1-11(2)15-9-13(22-18-15)10-19-16-8-6-5-7-14(16)17(21)20(19)12(3)4/h5-9,11-12H,10H2,1-4H3
InChIKeyDWCZJPOJLAKQST-UHFFFAOYSA-N
XLogP3.54
TPSA52.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-propan-2-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one with MolForge

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Related Compounds

1-(3,5-Dimethyl-isoxazol-4-ylmethyl)-2,3-dioxo-2,3-dihydro-1H-indole-5-carbonitrile
CID 44398160
2,3-Dihydroindol-1-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 1246695
2,3-Dihydroindol-1-yl-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 110856964
2-(1-cyanopyrrolidin-3-ylidene)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide
CID 153311694
2-[(3-methyl-5-isoxazolyl)methyl]-1H-isoindole-1,3(2H)-dione
CID 789333
2-(1-Bromopropan-2-yl)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one
CID 51361324
(2E)-N-(2-iodophenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide
CID 118735992
(2E)-N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide
CID 118736010
US11014912, Example 27
CID 155283991
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 38881249
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dioxoindole-5-carboxamide
CID 44398157
N-[2-(2,3-dihydroindol-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 45812676

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one?
The IUPAC name of 2-propan-2-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one (CID 51361320) is 2-propan-2-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one.
What is the SMILES notation for 2-propan-2-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one?
The canonical SMILES for 2-propan-2-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one is CC(C)c1cc(Cn2c3ccccc3c(=O)n2C(C)C)on1.
What is the InChIKey of 2-propan-2-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one?
The InChIKey is DWCZJPOJLAKQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11(2)15-9-13(22-18-15)10-19-16-8-6-5-7-14(16)17(21)20(19)12(3)4/h5-9,11-12H,10H2,1-4H3.
What are the key properties of 2-propan-2-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one?
2-propan-2-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one has a molecular weight of 299.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one is sourced from PubChem (CID 51361320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).