6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one

C53H64N6O5 — CID 157105806

IUPAC6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1cnc2c(c1)OCC(=O)N2
InChIInChI=1S/C12H16.C11H13NO.C10H12N2O2.C10H12N2.C10H11NO2/c1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-6(2)7-3-8-10(11-4-7)12-9(13)5-14-8;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-6(2)7-3-4-8-9(5-7)13-10(12)11-8/h6-9H,3-5H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);3-4,6H,5H2,1-2H3,(H,11,12,13);3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12)
InChIKeyAGHCHJRTLYBUBG-UHFFFAOYSA-N
MW865.13 g/mol
LogP12.07
Rot. Bonds5

About 6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 157105806) has the molecular formula C53H64N6O5 and a molecular weight of 865.13 g/mol. Its IUPAC name is 6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID157105806
Molecular FormulaC53H64N6O5
Molecular Weight865.13 g/mol
Exact Mass864.49
IUPAC Name6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1cnc2c(c1)OCC(=O)N2
InChIInChI=1S/C12H16.C11H13NO.C10H12N2O2.C10H12N2.C10H11NO2/c1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-6(2)7-3-8-10(11-4-7)12-9(13)5-14-8;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-6(2)7-3-4-8-9(5-7)13-10(12)11-8/h6-9H,3-5H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);3-4,6H,5H2,1-2H3,(H,11,12,13);3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12)
InChIKeyAGHCHJRTLYBUBG-UHFFFAOYSA-N
XLogP12.07
TPSA155.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.13
LogP ≤ 512.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-propan-2-yl-1H-indazole;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 159119366
6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-propan-2-yl-1H-indazole;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 159248715
ethane;5-ethyl-1H-indazole;6-ethyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 161037365
6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-propan-2-yl-1H-indazole;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 161525941
6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 162177395
tert-butyl (1R,4R)-5-[2-[3,7-bis(1H-indazol-5-yl)pyrido[3,2-b][1,4]benzoxazin-10-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 171073430
tert-butyl (1R,4R)-5-[2-[3,7-bis(1H-indazol-5-yl)-8-methylpyrido[3,2-b][1,4]benzoxazin-10-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 171073495
1-[3,7-bis(1H-indazol-5-yl)-8-methylpyrido[3,2-b][1,4]benzoxazin-10-yl]-2-morpholin-4-ylethanone
CID 171073574
1-[3,7-bis(1H-indazol-5-yl)pyrido[3,2-b][1,4]benzoxazin-10-yl]-2-morpholin-4-ylethanone
CID 171073685
tert-butyl (1S,4S)-5-[2-[3,7-bis(1H-indazol-5-yl)-8-methylpyrido[3,2-b][1,4]benzoxazin-10-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 171073717
tert-butyl (1S,4S)-5-[2-[3,7-bis(1H-indazol-5-yl)pyrido[3,2-b][1,4]benzoxazin-10-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 176024524
10-[3-[(3aS,6aR)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-5-yl]propyl]-3,7-bis(1H-indazol-5-yl)pyrido[3,2-b][1,4]benzoxazine
CID 176024570

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 157105806) is 6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one is CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1cnc2c(c1)OCC(=O)N2.
What is the InChIKey of 6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is AGHCHJRTLYBUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C11H13NO.C10H12N2O2.C10H12N2.C10H11NO2/c1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-6(2)7-3-8-10(11-4-7)12-9(13)5-14-8;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-6(2)7-3-4-8-9(5-7)13-10(12)11-8/h6-9H,3-5H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);3-4,6H,5H2,1-2H3,(H,11,12,13);3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12).
What are the key properties of 6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 865.13 g/mol, XLogP of 12.07, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 157105806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).