cyclopentyl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone

C23H26N4O2S — CID 92554719

IUPACcyclopentyl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2cnc([C@H]3CCCN(C(=O)C4CCCC4)C3)nc2-c2cccs2)on1
InChIInChI=1S/C23H26N4O2S/c1-15-12-19(29-26-15)18-13-24-22(25-21(18)20-9-5-11-30-20)17-8-4-10-27(14-17)23(28)16-6-2-3-7-16/h5,9,11-13,16-17H,2-4,6-8,10,14H2,1H3/t17-/m0/s1
InChIKeyCNLNRSRRRXUPSR-KRWDZBQOSA-N
MW422.55 g/mol
LogP5.06
Rot. Bonds4

About cyclopentyl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone

cyclopentyl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone (PubChem CID 92554719) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is cyclopentyl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone
PubChem CID92554719
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Namecyclopentyl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2cnc([C@H]3CCCN(C(=O)C4CCCC4)C3)nc2-c2cccs2)on1
InChIInChI=1S/C23H26N4O2S/c1-15-12-19(29-26-15)18-13-24-22(25-21(18)20-9-5-11-30-20)17-8-4-10-27(14-17)23(28)16-6-2-3-7-16/h5,9,11-13,16-17H,2-4,6-8,10,14H2,1H3/t17-/m0/s1
InChIKeyCNLNRSRRRXUPSR-KRWDZBQOSA-N
XLogP5.06
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219773
cyclopropyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219984
cyclohexyl-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
CID 110223317
[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 92554492
cyclohexyl-[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 128950819
cyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone
CID 95856208
furan-2-yl-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 16670297
2-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-5-(3-methyl-1,2-oxazol-5-yl)-6-thiophen-2-ylpyridazin-3-one
CID 110215136
1-(4-chlorophenyl)-2-[5-(3-methyl-1,2-oxazol-5-yl)-4-thiophen-2-ylpyrimidin-2-yl]sulfanylethanone
CID 46950745
(2-methylpyrazol-3-yl)-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidin-1-yl]methanone
CID 92553558
cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 124980635
[(3R)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 136798263

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone (CID 92554719) is cyclopentyl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone is Cc1cc(-c2cnc([C@H]3CCCN(C(=O)C4CCCC4)C3)nc2-c2cccs2)on1.
What is the InChIKey of cyclopentyl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone?
The InChIKey is CNLNRSRRRXUPSR-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-15-12-19(29-26-15)18-13-24-22(25-21(18)20-9-5-11-30-20)17-8-4-10-27(14-17)23(28)16-6-2-3-7-16/h5,9,11-13,16-17H,2-4,6-8,10,14H2,1H3/t17-/m0/s1.
What are the key properties of cyclopentyl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone?
cyclopentyl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone has a molecular weight of 422.55 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 92554719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).