(5R,7S)-7-methyl-9-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane

C14H18N4O3 — CID 124743549

IUPAC(5R,7S)-7-methyl-9-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCc1noc2ncnc(N3C[C@H](C)O[C@]4(CCOC4)C3)c12
InChIInChI=1S/C14H18N4O3/c1-9-5-18(6-14(20-9)3-4-19-7-14)12-11-10(2)17-21-13(11)16-8-15-12/h8-9H,3-7H2,1-2H3/t9-,14+/m0/s1
InChIKeyZAGXJYMCMJWZSN-LKFCYVNXSA-N
MW290.32 g/mol
LogP1.31
Rot. Bonds1

About (5R,7S)-7-methyl-9-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane

(5R,7S)-7-methyl-9-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane (PubChem CID 124743549) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (5R,7S)-7-methyl-9-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5R,7S)-7-methyl-9-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
PubChem CID124743549
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name(5R,7S)-7-methyl-9-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCc1noc2ncnc(N3C[C@H](C)O[C@]4(CCOC4)C3)c12
InChIInChI=1S/C14H18N4O3/c1-9-5-18(6-14(20-9)3-4-19-7-14)12-11-10(2)17-21-13(11)16-8-15-12/h8-9H,3-7H2,1-2H3/t9-,14+/m0/s1
InChIKeyZAGXJYMCMJWZSN-LKFCYVNXSA-N
XLogP1.31
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5R,7S)-7-methyl-9-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane with MolForge

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Related Compounds

4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
CID 92723341
(2R)-2-methyl-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 99836457
N-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-amine
CID 63277049
2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 64618849
(3aR,7aS)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 63276797
1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 63595897
(5S,7S)-7-methyl-9-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane
CID 124741907
(6S)-6-methyl-8-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-oxa-8-azaspiro[3.5]nonane
CID 164643336
2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 79371898
N-methyl-2-(2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-3-carboxamide
CID 136539303
3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine
CID 72898476
6-[(2S,6S)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile
CID 124887089

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-7-methyl-9-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of (5R,7S)-7-methyl-9-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane (CID 124743549) is (5R,7S)-7-methyl-9-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (5R,7S)-7-methyl-9-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for (5R,7S)-7-methyl-9-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane is Cc1noc2ncnc(N3C[C@H](C)O[C@]4(CCOC4)C3)c12.
What is the InChIKey of (5R,7S)-7-methyl-9-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
The InChIKey is ZAGXJYMCMJWZSN-LKFCYVNXSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9-5-18(6-14(20-9)3-4-19-7-14)12-11-10(2)17-21-13(11)16-8-15-12/h8-9H,3-7H2,1-2H3/t9-,14+/m0/s1.
What are the key properties of (5R,7S)-7-methyl-9-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
(5R,7S)-7-methyl-9-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane has a molecular weight of 290.32 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-7-methyl-9-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 124743549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).