(3S,5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane

C17H22N4O3 — CID 124520565

IUPAC(3S,5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
SMILESCc1noc(C)c1CN1CC[C@]2(C[C@H](Oc3ncccn3)CO2)C1
InChIInChI=1S/C17H22N4O3/c1-12-15(13(2)24-20-12)9-21-7-4-17(11-21)8-14(10-22-17)23-16-18-5-3-6-19-16/h3,5-6,14H,4,7-11H2,1-2H3/t14-,17-/m0/s1
InChIKeyJIHQEUNGMZTORV-YOEHRIQHSA-N
MW330.39 g/mol
LogP1.89
Rot. Bonds4

About (3S,5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane

(3S,5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 124520565) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (3S,5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(3S,5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
PubChem CID124520565
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(3S,5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
SMILESCc1noc(C)c1CN1CC[C@]2(C[C@H](Oc3ncccn3)CO2)C1
InChIInChI=1S/C17H22N4O3/c1-12-15(13(2)24-20-12)9-21-7-4-17(11-21)8-14(10-22-17)23-16-18-5-3-6-19-16/h3,5-6,14H,4,7-11H2,1-2H3/t14-,17-/m0/s1
InChIKeyJIHQEUNGMZTORV-YOEHRIQHSA-N
XLogP1.89
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3S,5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane with MolForge

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Launch Full Analysis

Related Compounds

7-(pyridin-4-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 134076700
9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 131660794
9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 134071325
(3S,5S)-7-methylsulfonyl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 124521699
(3S,5S)-7-(pyridin-2-ylmethyl)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97419877
(3R,5S)-7-(pyridin-2-ylmethyl)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97420051
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 133137346
(3S,5S)-7-(oxan-4-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 124520570
7-[(2-methoxy-3-pyridinyl)methyl]-3-phenoxy-1-oxa-7-azaspiro[4.4]nonane
CID 134071071
(3R,5S)-7-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394443
(3S,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 124821973
9-(6-methylpyridazin-3-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 134074991

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (3S,5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane (CID 124520565) is (3S,5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (3S,5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (3S,5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane is Cc1noc(C)c1CN1CC[C@]2(C[C@H](Oc3ncccn3)CO2)C1.
What is the InChIKey of (3S,5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is JIHQEUNGMZTORV-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-15(13(2)24-20-12)9-21-7-4-17(11-21)8-14(10-22-17)23-16-18-5-3-6-19-16/h3,5-6,14H,4,7-11H2,1-2H3/t14-,17-/m0/s1.
What are the key properties of (3S,5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
(3S,5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 330.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 124520565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).