1-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-hydroxypropan-1-one

C15H21FN4O3 — CID 97489734

IUPAC1-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-hydroxypropan-1-one
SMILESO=C(CCO)N1CCC[C@@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C15H21FN4O3/c16-11-7-17-14(18-8-11)19-12-6-15(23-9-12)3-1-4-20(10-15)13(22)2-5-21/h7-8,12,21H,1-6,9-10H2,(H,17,18,19)/t12-,15+/m0/s1
InChIKeyIBKACNAVSBORMB-SWLSCSKDSA-N
MW324.36 g/mol
LogP0.56
Rot. Bonds4

About 1-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-hydroxypropan-1-one

1-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-hydroxypropan-1-one (PubChem CID 97489734) has the molecular formula C15H21FN4O3 and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-hydroxypropan-1-one
PubChem CID97489734
Molecular FormulaC15H21FN4O3
Molecular Weight324.36 g/mol
Exact Mass324.16
IUPAC Name1-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-hydroxypropan-1-one
SMILESO=C(CCO)N1CCC[C@@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C15H21FN4O3/c16-11-7-17-14(18-8-11)19-12-6-15(23-9-12)3-1-4-20(10-15)13(22)2-5-21/h7-8,12,21H,1-6,9-10H2,(H,17,18,19)/t12-,15+/m0/s1
InChIKeyIBKACNAVSBORMB-SWLSCSKDSA-N
XLogP0.56
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-hydroxypropan-1-one with MolForge

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Related Compounds

1-[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone
CID 131650836
[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 131646415
[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-3-yl)methanone
CID 97371841
[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97489467
(1-fluorocyclobutyl)-[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 131685195
(3S,5S)-9-ethylsulfonyl-N-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 124519926
(3S,5S)-N-(5-fluoropyrimidin-2-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97489493
1-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3-hydroxypropan-1-one
CID 97486977
[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 171688641
N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131659823
(3S,5S)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371832
[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone
CID 134074870

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-hydroxypropan-1-one?
The IUPAC name of 1-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-hydroxypropan-1-one (CID 97489734) is 1-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-hydroxypropan-1-one.
What is the SMILES notation for 1-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-hydroxypropan-1-one?
The canonical SMILES for 1-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-hydroxypropan-1-one is O=C(CCO)N1CCC[C@@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1.
What is the InChIKey of 1-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-hydroxypropan-1-one?
The InChIKey is IBKACNAVSBORMB-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H21FN4O3/c16-11-7-17-14(18-8-11)19-12-6-15(23-9-12)3-1-4-20(10-15)13(22)2-5-21/h7-8,12,21H,1-6,9-10H2,(H,17,18,19)/t12-,15+/m0/s1.
What are the key properties of 1-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-hydroxypropan-1-one?
1-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-hydroxypropan-1-one has a molecular weight of 324.36 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-hydroxypropan-1-one is sourced from PubChem (CID 97489734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).