1,2-oxazol-3-yl-[(1S,5S)-7-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

C19H25N5O3 — CID 135107049

IUPAC1,2-oxazol-3-yl-[(1S,5S)-7-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
SMILESCC(C)c1ncc(CN2C[C@@H]3COC[C@H](C2)N(C(=O)c2ccon2)C3)cn1
InChIInChI=1S/C19H25N5O3/c1-13(2)18-20-5-14(6-21-18)7-23-8-15-9-24(16(10-23)12-26-11-15)19(25)17-3-4-27-22-17/h3-6,13,15-16H,7-12H2,1-2H3/t15-,16-/m0/s1
InChIKeyXMGBKQIKYLWDCV-HOTGVXAUSA-N
MW371.44 g/mol
LogP1.56
Rot. Bonds4

About 1,2-oxazol-3-yl-[(1S,5S)-7-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

1,2-oxazol-3-yl-[(1S,5S)-7-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone (PubChem CID 135107049) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1,2-oxazol-3-yl-[(1S,5S)-7-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone.

Molecular Properties

Compound Name1,2-oxazol-3-yl-[(1S,5S)-7-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
PubChem CID135107049
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name1,2-oxazol-3-yl-[(1S,5S)-7-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
SMILESCC(C)c1ncc(CN2C[C@@H]3COC[C@H](C2)N(C(=O)c2ccon2)C3)cn1
InChIInChI=1S/C19H25N5O3/c1-13(2)18-20-5-14(6-21-18)7-23-8-15-9-24(16(10-23)12-26-11-15)19(25)17-3-4-27-22-17/h3-6,13,15-16H,7-12H2,1-2H3/t15-,16-/m0/s1
InChIKeyXMGBKQIKYLWDCV-HOTGVXAUSA-N
XLogP1.56
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,2-oxazol-3-yl-[(1S,5S)-7-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone with MolForge

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Related Compounds

(2-amino-1,3-thiazol-5-yl)-[(1S,5S)-7-[(4-fluorophenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
CID 135097477
(5-propan-2-yl-1,2-oxazol-3-yl)-[(1R,5S)-3-(pyridin-3-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 155556492
[(1S,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 137339882
(5-chloro-2-pyridinyl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
CID 135087234
(4,6-dimethylpyrimidin-5-yl)-[(1S,5S)-7-[(6-methyl-2-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
CID 135109177
cyclopropyl-[(1S,5S)-7-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
CID 169414621
(1R,5S)-6-methyl-3-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 77082006
(5-methyl-1,2-oxazol-3-yl)-[(1S,5R)-3-(pyridin-3-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 70755585
(8aR)-2-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 99937780
[(1S,5R)-3-[(4-fluorophenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 72872581
(2,5-dimethylfuran-3-yl)-[(1S,5S)-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
CID 137342393
1,3-benzodioxol-5-yl-[(1S,5S)-7-(1,3-thiazol-5-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
CID 169415673

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-3-yl-[(1S,5S)-7-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone?
The IUPAC name of 1,2-oxazol-3-yl-[(1S,5S)-7-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone (CID 135107049) is 1,2-oxazol-3-yl-[(1S,5S)-7-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone.
What is the SMILES notation for 1,2-oxazol-3-yl-[(1S,5S)-7-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone?
The canonical SMILES for 1,2-oxazol-3-yl-[(1S,5S)-7-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone is CC(C)c1ncc(CN2C[C@@H]3COC[C@H](C2)N(C(=O)c2ccon2)C3)cn1.
What is the InChIKey of 1,2-oxazol-3-yl-[(1S,5S)-7-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone?
The InChIKey is XMGBKQIKYLWDCV-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-13(2)18-20-5-14(6-21-18)7-23-8-15-9-24(16(10-23)12-26-11-15)19(25)17-3-4-27-22-17/h3-6,13,15-16H,7-12H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of 1,2-oxazol-3-yl-[(1S,5S)-7-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone?
1,2-oxazol-3-yl-[(1S,5S)-7-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone has a molecular weight of 371.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-3-yl-[(1S,5S)-7-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone is sourced from PubChem (CID 135107049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).