5-[(10R)-10-methyl-6-propan-2-yloxy-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-1,3-benzoxazol-2-amine

C20H20N4O3 — CID 155032576

IUPAC5-[(10R)-10-methyl-6-propan-2-yloxy-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-1,3-benzoxazol-2-amine
SMILESCC(C)Oc1cc2c3c(c1)nc(-c1ccc4oc(N)nc4c1)n3C[C@@H](C)O2
InChIInChI=1S/C20H20N4O3/c1-10(2)25-13-7-15-18-17(8-13)26-11(3)9-24(18)19(22-15)12-4-5-16-14(6-12)23-20(21)27-16/h4-8,10-11H,9H2,1-3H3,(H2,21,23)/t11-/m1/s1
InChIKeyQJQMBDINNCBILE-LLVKDONJSA-N
MW364.41 g/mol
LogP3.99
Rot. Bonds3

About 5-[(10R)-10-methyl-6-propan-2-yloxy-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-1,3-benzoxazol-2-amine

5-[(10R)-10-methyl-6-propan-2-yloxy-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-1,3-benzoxazol-2-amine (PubChem CID 155032576) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-[(10R)-10-methyl-6-propan-2-yloxy-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[(10R)-10-methyl-6-propan-2-yloxy-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-1,3-benzoxazol-2-amine
PubChem CID155032576
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name5-[(10R)-10-methyl-6-propan-2-yloxy-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-1,3-benzoxazol-2-amine
SMILESCC(C)Oc1cc2c3c(c1)nc(-c1ccc4oc(N)nc4c1)n3C[C@@H](C)O2
InChIInChI=1S/C20H20N4O3/c1-10(2)25-13-7-15-18-17(8-13)26-11(3)9-24(18)19(22-15)12-4-5-16-14(6-12)23-20(21)27-16/h4-8,10-11H,9H2,1-3H3,(H2,21,23)/t11-/m1/s1
InChIKeyQJQMBDINNCBILE-LLVKDONJSA-N
XLogP3.99
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(10R)-10-methyl-6-propan-2-yloxy-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-1,3-benzoxazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[[2-(2-amino-1,3-benzoxazol-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]propanamide
CID 126700663
(2S)-2-[[(3S)-2,3-diamino-3-(2-amino-1,3-benzoxazol-5-yl)-6-methyl-7-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-10-yl]oxy]propanamide
CID 175087762
(2S)-2-[[2-(2-amino-[1,3]oxazolo[4,5-b]pyridin-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]oxy]propanamide
CID 126699982
(2S)-2-[[2-(3-amino-1,2,4-benzotriazin-7-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]oxy]propanamide
CID 126699994
(2R,3S)-1-[2-(2-amino-1,3-benzoxazol-5-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]-3-fluoropyrrolidine-2-carboxamide
CID 126700511
5-[3-(3-methylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 144716966
2-[4-[2-(2-amino-1,3-benzoxazol-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]pyrazol-1-yl]-3-methoxy-2-methylpropanoic acid
CID 126700606
(2S)-2-[[2-(2-amino-1,3-benzoxazol-5-yl)-9-oxa-3,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-yl]oxy]propanoic acid
CID 175086668
CID 89212359
CID 89212359
5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
CID 143969091
5-[7-[(3R)-3-methylpiperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine
CID 70650038
5-(6-amino-4-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 139207772

Frequently Asked Questions

What is the IUPAC name of 5-[(10R)-10-methyl-6-propan-2-yloxy-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[(10R)-10-methyl-6-propan-2-yloxy-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-1,3-benzoxazol-2-amine (CID 155032576) is 5-[(10R)-10-methyl-6-propan-2-yloxy-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[(10R)-10-methyl-6-propan-2-yloxy-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[(10R)-10-methyl-6-propan-2-yloxy-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-1,3-benzoxazol-2-amine is CC(C)Oc1cc2c3c(c1)nc(-c1ccc4oc(N)nc4c1)n3C[C@@H](C)O2.
What is the InChIKey of 5-[(10R)-10-methyl-6-propan-2-yloxy-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-1,3-benzoxazol-2-amine?
The InChIKey is QJQMBDINNCBILE-LLVKDONJSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-10(2)25-13-7-15-18-17(8-13)26-11(3)9-24(18)19(22-15)12-4-5-16-14(6-12)23-20(21)27-16/h4-8,10-11H,9H2,1-3H3,(H2,21,23)/t11-/m1/s1.
What are the key properties of 5-[(10R)-10-methyl-6-propan-2-yloxy-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-1,3-benzoxazol-2-amine?
5-[(10R)-10-methyl-6-propan-2-yloxy-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-1,3-benzoxazol-2-amine has a molecular weight of 364.41 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(10R)-10-methyl-6-propan-2-yloxy-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 155032576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).