(5aR)-6,6,10a-trimethyl-4,5,5a,10-tetrahydro-1H-indazolo[7,6-f][1,2]benzoxazole

C15H19N3O — CID 163693771

IUPAC(5aR)-6,6,10a-trimethyl-4,5,5a,10-tetrahydro-1H-indazolo[7,6-f][1,2]benzoxazole
SMILESCC1(C)c2oncc2CC2(C)c3[nH]ncc3CC[C@@H]12
InChIInChI=1S/C15H19N3O/c1-14(2)11-5-4-9-7-16-18-12(9)15(11,3)6-10-8-17-19-13(10)14/h7-8,11H,4-6H2,1-3H3,(H,16,18)/t11-,15?/m0/s1
InChIKeyJVEZRNRXLNNCEM-VPHXOMNUSA-N
MW257.34 g/mol
LogP2.75
Rot. Bonds

About (5aR)-6,6,10a-trimethyl-4,5,5a,10-tetrahydro-1H-indazolo[7,6-f][1,2]benzoxazole

(5aR)-6,6,10a-trimethyl-4,5,5a,10-tetrahydro-1H-indazolo[7,6-f][1,2]benzoxazole (PubChem CID 163693771) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (5aR)-6,6,10a-trimethyl-4,5,5a,10-tetrahydro-1H-indazolo[7,6-f][1,2]benzoxazole.

Molecular Properties

Compound Name(5aR)-6,6,10a-trimethyl-4,5,5a,10-tetrahydro-1H-indazolo[7,6-f][1,2]benzoxazole
PubChem CID163693771
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(5aR)-6,6,10a-trimethyl-4,5,5a,10-tetrahydro-1H-indazolo[7,6-f][1,2]benzoxazole
SMILESCC1(C)c2oncc2CC2(C)c3[nH]ncc3CC[C@@H]12
InChIInChI=1S/C15H19N3O/c1-14(2)11-5-4-9-7-16-18-12(9)15(11,3)6-10-8-17-19-13(10)14/h7-8,11H,4-6H2,1-3H3,(H,16,18)/t11-,15?/m0/s1
InChIKeyJVEZRNRXLNNCEM-VPHXOMNUSA-N
XLogP2.75
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5aR)-6,6,10a-trimethyl-4,5,5a,10-tetrahydro-1H-indazolo[7,6-f][1,2]benzoxazole with MolForge

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Related Compounds

(6aR,11aS)-7,7,11a-trimethyl-4-propan-2-yl-5,6,6a,11-tetrahydronaphtho[1,2-f][1,2]benzoxazol-3-ol
CID 71458440
(6aR,11aS)-7,7,11a-trimethyl-5,6,6a,11-tetrahydro-1H-[1]benzofuro[6,5-h]quinazolin-2-one
CID 140911459
(4aR,6aR,11aS)-7,7,11a-trimethyl-2-oxo-3,4,5,6,6a,11-hexahydronaphtho[1,2-f][1,2]benzoxazole-4a-carbonitrile
CID 58802222
(4aR,6aR,11aS)-7,7,11a-trimethyl-2-oxo-3,4,5,6,6a,11-hexahydronaphtho[1,2-f][1,2]benzoxazole-4a-carbaldehyde
CID 58802169
(4aR,6aR,11aS)-4a-(hydroxymethyl)-7,7,11a-trimethyl-3,4,5,6,6a,11-hexahydronaphtho[1,2-f][1,2]benzoxazol-2-one
CID 58802154
(4aS,6S,8aR)-6-ethyl-4a,9,9-trimethyl-4,5,6,7,8,8a-hexahydrobenzo[f][1,2]benzoxazole
CID 158141664
(4R,6aR,11aS)-4-(fluoromethyl)-7,7,11a-trimethyl-4,4a,5,6,6a,11-hexahydro-3H-naphtho[1,2-f][1,2]benzoxazol-2-one
CID 58802201
methyl (4aS,6aR,11aS)-4a,7,7,11a-tetramethyl-5,6,6a,11-tetrahydro-2H-naphtho[1,2-f][1,2]benzoxazole-3-carboxylate
CID 10903966
(4aR,6S,8aR)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-4a,9,9-trimethyl-4,5,6,7,8,8a-hexahydrobenzo[f][1,2]benzoxazole
CID 155139374
(4aR,6S,8aR)-4a,9,9-trimethyl-6-morpholin-4-yl-4,5,6,7,8,8a-hexahydrobenzo[f][1,2]benzoxazole
CID 155139571
(4aS,7R,8aR)-7-benzyl-4a,9,9-trimethyl-5,6,7,8a-tetrahydro-4H-pyrano[3,2-f][1,2]benzoxazole
CID 147673696
(1S,2R,5S,8R,9S,10S,11R,15S,23R)-1,2,8,9,15,22,22-heptamethyl-5-(2-oxoazetidin-1-yl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-trien-12-one
CID 171454288

Frequently Asked Questions

What is the IUPAC name of (5aR)-6,6,10a-trimethyl-4,5,5a,10-tetrahydro-1H-indazolo[7,6-f][1,2]benzoxazole?
The IUPAC name of (5aR)-6,6,10a-trimethyl-4,5,5a,10-tetrahydro-1H-indazolo[7,6-f][1,2]benzoxazole (CID 163693771) is (5aR)-6,6,10a-trimethyl-4,5,5a,10-tetrahydro-1H-indazolo[7,6-f][1,2]benzoxazole.
What is the SMILES notation for (5aR)-6,6,10a-trimethyl-4,5,5a,10-tetrahydro-1H-indazolo[7,6-f][1,2]benzoxazole?
The canonical SMILES for (5aR)-6,6,10a-trimethyl-4,5,5a,10-tetrahydro-1H-indazolo[7,6-f][1,2]benzoxazole is CC1(C)c2oncc2CC2(C)c3[nH]ncc3CC[C@@H]12.
What is the InChIKey of (5aR)-6,6,10a-trimethyl-4,5,5a,10-tetrahydro-1H-indazolo[7,6-f][1,2]benzoxazole?
The InChIKey is JVEZRNRXLNNCEM-VPHXOMNUSA-N. The full InChI is InChI=1S/C15H19N3O/c1-14(2)11-5-4-9-7-16-18-12(9)15(11,3)6-10-8-17-19-13(10)14/h7-8,11H,4-6H2,1-3H3,(H,16,18)/t11-,15?/m0/s1.
What are the key properties of (5aR)-6,6,10a-trimethyl-4,5,5a,10-tetrahydro-1H-indazolo[7,6-f][1,2]benzoxazole?
(5aR)-6,6,10a-trimethyl-4,5,5a,10-tetrahydro-1H-indazolo[7,6-f][1,2]benzoxazole has a molecular weight of 257.34 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5aR)-6,6,10a-trimethyl-4,5,5a,10-tetrahydro-1H-indazolo[7,6-f][1,2]benzoxazole is sourced from PubChem (CID 163693771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).