9-(5-fluoropyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C16H17FN4O2S — CID 97385661

IUPAC9-(5-fluoropyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ncc(F)cn3)CC2)CN1c1ccsc1
InChIInChI=1S/C16H17FN4O2S/c17-12-7-18-15(19-8-12)20-4-2-16(3-5-20)11-21(14(22)9-23-16)13-1-6-24-10-13/h1,6-8,10H,2-5,9,11H2
InChIKeyAAKFOCRXPDPGLU-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.08
Rot. Bonds2

About 9-(5-fluoropyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(5-fluoropyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97385661) has the molecular formula C16H17FN4O2S and a molecular weight of 348.40 g/mol. Its IUPAC name is 9-(5-fluoropyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(5-fluoropyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97385661
Molecular FormulaC16H17FN4O2S
Molecular Weight348.40 g/mol
Exact Mass348.11
IUPAC Name9-(5-fluoropyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ncc(F)cn3)CC2)CN1c1ccsc1
InChIInChI=1S/C16H17FN4O2S/c17-12-7-18-15(19-8-12)20-4-2-16(3-5-20)11-21(14(22)9-23-16)13-1-6-24-10-13/h1,6-8,10H,2-5,9,11H2
InChIKeyAAKFOCRXPDPGLU-UHFFFAOYSA-N
XLogP2.08
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(5-methylpyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118743030
9-(5-fluoropyrimidin-2-yl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97408602
9-[(4-fluorophenyl)methyl]-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97372532
9-(pyrazine-2-carbonyl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451112
9-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451101
4-(4-fluorophenyl)-10-(thiophene-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155999673
9-(furan-3-ylmethyl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118745410
9-(furan-2-ylmethyl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155841444
[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone
CID 97449449
6-thiophen-3-yl-1-oxa-6-azaspiro[2.5]octane
CID 118904260
9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985994
9-(5-fluoropyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450776

Frequently Asked Questions

What is the IUPAC name of 9-(5-fluoropyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(5-fluoropyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97385661) is 9-(5-fluoropyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(5-fluoropyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(5-fluoropyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(c3ncc(F)cn3)CC2)CN1c1ccsc1.
What is the InChIKey of 9-(5-fluoropyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is AAKFOCRXPDPGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2S/c17-12-7-18-15(19-8-12)20-4-2-16(3-5-20)11-21(14(22)9-23-16)13-1-6-24-10-13/h1,6-8,10H,2-5,9,11H2.
What are the key properties of 9-(5-fluoropyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(5-fluoropyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 348.40 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-fluoropyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97385661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).