(5R,8S)-5-methyl-8-propan-2-yl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one

C14H24N4O2 — CID 71760001

IUPAC(5R,8S)-5-methyl-8-propan-2-yl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one
SMILESCC(C)[C@H]1COCc2cnnn2CCC[C@@H](C)C(=O)N1
InChIInChI=1S/C14H24N4O2/c1-10(2)13-9-20-8-12-7-15-17-18(12)6-4-5-11(3)14(19)16-13/h7,10-11,13H,4-6,8-9H2,1-3H3,(H,16,19)/t11-,13-/m1/s1
InChIKeyYOXXMCSOUWRIFS-DGCLKSJQSA-N
MW280.37 g/mol
LogP1.37
Rot. Bonds1

About (5R,8S)-5-methyl-8-propan-2-yl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one

(5R,8S)-5-methyl-8-propan-2-yl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one (PubChem CID 71760001) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (5R,8S)-5-methyl-8-propan-2-yl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one.

Molecular Properties

Compound Name(5R,8S)-5-methyl-8-propan-2-yl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one
PubChem CID71760001
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(5R,8S)-5-methyl-8-propan-2-yl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one
SMILESCC(C)[C@H]1COCc2cnnn2CCC[C@@H](C)C(=O)N1
InChIInChI=1S/C14H24N4O2/c1-10(2)13-9-20-8-12-7-15-17-18(12)6-4-5-11(3)14(19)16-13/h7,10-11,13H,4-6,8-9H2,1-3H3,(H,16,19)/t11-,13-/m1/s1
InChIKeyYOXXMCSOUWRIFS-DGCLKSJQSA-N
XLogP1.37
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R,8S)-5-methyl-8-propan-2-yl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one with MolForge

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Related Compounds

(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
CID 44505071
(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
CID 44506095
(18S,21S,24S)-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-21-butyl-2,5,20,23-tetraoxo-16-oxa-1,4,10,11,12,19,22-heptazatricyclo[22.3.0.010,14]heptacosa-11,13-diene-18-carboxamide
CID 166627983
(3S,18S,21S,24S)-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-21-[(2S)-butan-2-yl]-3-methyl-2,5,20,23-tetraoxo-16-oxa-1,4,10,11,12,19,22-heptazatricyclo[22.3.0.010,14]heptacosa-11,13-diene-18-carboxamide
CID 166630252
(17S,20S,23S)-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-20-[(2S)-butan-2-yl]-2,5,19,22-tetraoxo-15-oxa-1,4,9,10,11,18,21-heptazatricyclo[21.3.0.09,13]hexacosa-10,12-diene-17-carboxamide
CID 166631185
(18S,21S,24S)-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-21-(cyclopropylmethyl)-2,5,20,23-tetraoxo-16-oxa-1,4,10,11,12,19,22-heptazatricyclo[22.3.0.010,14]heptacosa-11,13-diene-18-carboxamide
CID 166634127
(18S,21S,24S)-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-21-(2-methylpropyl)-2,5,20,23-tetraoxo-16-oxa-1,4,10,11,12,19,22-heptazatricyclo[22.3.0.010,14]heptacosa-11,13-diene-18-carboxamide
CID 166634588
(18S,21S,24S)-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-21-[(2S)-butan-2-yl]-2,5,20,23-tetraoxo-16-oxa-1,4,10,11,12,19,22-heptazatricyclo[22.3.0.010,14]heptacosa-11,13-diene-18-carboxamide
CID 166634841
(21S,24S)-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-21-[(2S)-butan-2-yl]-2,5,20,23-tetraoxo-14-oxa-1,4,8,9,10,19,22-heptazatricyclo[22.3.0.08,12]heptacosa-9,11-diene-18-carboxamide
CID 178313161
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
CID 44506097
3-Oxa-7,8,9,15-tetrazatricyclo[13.3.0.05,9]octadeca-5,7-dien-14-one
CID 44138240
3-Oxa-7,8,9,15-tetrazatricyclo[13.4.0.05,9]nonadeca-5,7-dien-14-one
CID 49818828

Frequently Asked Questions

What is the IUPAC name of (5R,8S)-5-methyl-8-propan-2-yl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one?
The IUPAC name of (5R,8S)-5-methyl-8-propan-2-yl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one (CID 71760001) is (5R,8S)-5-methyl-8-propan-2-yl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one.
What is the SMILES notation for (5R,8S)-5-methyl-8-propan-2-yl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one?
The canonical SMILES for (5R,8S)-5-methyl-8-propan-2-yl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one is CC(C)[C@H]1COCc2cnnn2CCC[C@@H](C)C(=O)N1.
What is the InChIKey of (5R,8S)-5-methyl-8-propan-2-yl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one?
The InChIKey is YOXXMCSOUWRIFS-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)13-9-20-8-12-7-15-17-18(12)6-4-5-11(3)14(19)16-13/h7,10-11,13H,4-6,8-9H2,1-3H3,(H,16,19)/t11-,13-/m1/s1.
What are the key properties of (5R,8S)-5-methyl-8-propan-2-yl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one?
(5R,8S)-5-methyl-8-propan-2-yl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one has a molecular weight of 280.37 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8S)-5-methyl-8-propan-2-yl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one is sourced from PubChem (CID 71760001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).