5-(phenoxymethyl)-3-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one

C27H26N4O3S — CID 52941935

IUPAC5-(phenoxymethyl)-3-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OC(COc2ccccc2)CN1C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C27H26N4O3S/c32-27-31(15-22(34-27)16-33-21-9-5-2-6-10-21)20-11-13-30(14-12-20)25-24-23(19-7-3-1-4-8-19)17-35-26(24)29-18-28-25/h1-10,17-18,20,22H,11-16H2
InChIKeyCATCIEAJLDNNKU-UHFFFAOYSA-N
MW486.60 g/mol
LogP5.23
Rot. Bonds6

About 5-(phenoxymethyl)-3-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one

5-(phenoxymethyl)-3-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 52941935) has the molecular formula C27H26N4O3S and a molecular weight of 486.60 g/mol. Its IUPAC name is 5-(phenoxymethyl)-3-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(phenoxymethyl)-3-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID52941935
Molecular FormulaC27H26N4O3S
Molecular Weight486.60 g/mol
Exact Mass486.17
IUPAC Name5-(phenoxymethyl)-3-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OC(COc2ccccc2)CN1C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C27H26N4O3S/c32-27-31(15-22(34-27)16-33-21-9-5-2-6-10-21)20-11-13-30(14-12-20)25-24-23(19-7-3-1-4-8-19)17-35-26(24)29-18-28-25/h1-10,17-18,20,22H,11-16H2
InChIKeyCATCIEAJLDNNKU-UHFFFAOYSA-N
XLogP5.23
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.60
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-Dimethyl-4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 1999904
4-(2-Hydroxy-3-(1-(5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenol
CID 24936492
4-(2-Hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)-2-(hydroxymethyl)phenol
CID 24936626
3-(2-Hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenol
CID 24936881
2-Ethyl-4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenol
CID 24936885
5-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-4-piperidin-1-yl-thieno[2,3-d]pyrimidine
CID 2958647
4-[4-(5-Fluoro-2-methoxybenzyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 4389209
1-(4-Methoxyphenoxy)-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propan-2-ol
CID 2796082
1-Phenoxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propan-2-ol
CID 24885648
1-(4-Fluorophenoxy)-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propan-2-ol
CID 24886595
4-(2-Hydroxy-3-(1-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenol
CID 24936488
4-(2-Hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenol
CID 24936489

Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-3-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(phenoxymethyl)-3-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 52941935) is 5-(phenoxymethyl)-3-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(phenoxymethyl)-3-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(phenoxymethyl)-3-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one is O=C1OC(COc2ccccc2)CN1C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1.
What is the InChIKey of 5-(phenoxymethyl)-3-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is CATCIEAJLDNNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S/c32-27-31(15-22(34-27)16-33-21-9-5-2-6-10-21)20-11-13-30(14-12-20)25-24-23(19-7-3-1-4-8-19)17-35-26(24)29-18-28-25/h1-10,17-18,20,22H,11-16H2.
What are the key properties of 5-(phenoxymethyl)-3-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one?
5-(phenoxymethyl)-3-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 486.60 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-3-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 52941935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).