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

C42H51N5O5 — CID 162177395

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-dihydropyrrolo[2,3-b]pyridin-2-one;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1cnc2c(c1)CC(=O)N2.CC(C)c1cnc2c(c1)OCC(=O)N2
InChIInChI=1S/C12H16.C10H12N2O2.C10H12N2O.C10H11NO2/c1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-6(2)7-3-8-10(11-4-7)12-9(13)5-14-8;1-6(2)8-3-7-4-9(13)12-10(7)11-5-8;1-6(2)7-3-4-8-9(5-7)13-10(12)11-8/h6-9H,3-5H2,1-2H3;3-4,6H,5H2,1-2H3,(H,11,12,13);3,5-6H,4H2,1-2H3,(H,11,12,13);3-6H,1-2H3,(H,11,12)
InChIKeyZOOJIDOHIUTGBQ-UHFFFAOYSA-N
MW705.90 g/mol
LogP8.78
Rot. Bonds4

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-dihydropyrrolo[2,3-b]pyridin-2-one;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-dihydropyrrolo[2,3-b]pyridin-2-one;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 162177395) has the molecular formula C42H51N5O5 and a molecular weight of 705.90 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-dihydropyrrolo[2,3-b]pyridin-2-one;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-dihydropyrrolo[2,3-b]pyridin-2-one;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID162177395
Molecular FormulaC42H51N5O5
Molecular Weight705.90 g/mol
Exact Mass705.39
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-dihydropyrrolo[2,3-b]pyridin-2-one;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1cnc2c(c1)CC(=O)N2.CC(C)c1cnc2c(c1)OCC(=O)N2
InChIInChI=1S/C12H16.C10H12N2O2.C10H12N2O.C10H11NO2/c1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-6(2)7-3-8-10(11-4-7)12-9(13)5-14-8;1-6(2)8-3-7-4-9(13)12-10(7)11-5-8;1-6(2)7-3-4-8-9(5-7)13-10(12)11-8/h6-9H,3-5H2,1-2H3;3-4,6H,5H2,1-2H3,(H,11,12,13);3,5-6H,4H2,1-2H3,(H,11,12,13);3-6H,1-2H3,(H,11,12)
InChIKeyZOOJIDOHIUTGBQ-UHFFFAOYSA-N
XLogP8.78
TPSA139.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.90
LogP ≤ 58.78
H-Bond Donors ≤ 53
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-dihydropyrrolo[2,3-b]pyridin-2-one;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

4-[2-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)ethyl]-3H-1,3-benzoxazol-2-one
CID 59594340
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
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
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
2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrido[3,2-b][1,4]oxazin-3-one
CID 173089078

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-dihydropyrrolo[2,3-b]pyridin-2-one;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-dihydropyrrolo[2,3-b]pyridin-2-one;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 162177395) 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-dihydropyrrolo[2,3-b]pyridin-2-one;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-dihydropyrrolo[2,3-b]pyridin-2-one;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-dihydropyrrolo[2,3-b]pyridin-2-one;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one is CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1cnc2c(c1)CC(=O)N2.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-dihydropyrrolo[2,3-b]pyridin-2-one;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is ZOOJIDOHIUTGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C10H12N2O2.C10H12N2O.C10H11NO2/c1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-6(2)7-3-8-10(11-4-7)12-9(13)5-14-8;1-6(2)8-3-7-4-9(13)12-10(7)11-5-8;1-6(2)7-3-4-8-9(5-7)13-10(12)11-8/h6-9H,3-5H2,1-2H3;3-4,6H,5H2,1-2H3,(H,11,12,13);3,5-6H,4H2,1-2H3,(H,11,12,13);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-dihydropyrrolo[2,3-b]pyridin-2-one;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-dihydropyrrolo[2,3-b]pyridin-2-one;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 705.90 g/mol, XLogP of 8.78, 4 rotatable bonds, 3 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-dihydropyrrolo[2,3-b]pyridin-2-one;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 162177395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).