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4-[4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidin-3-yl]morpholine

C26H29N5O4S — CID 141075075

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidin-3-yl]morpholine
SMILESc1c[nH]c(C2ON(c3cccs3)C(c3ncco3)(N3CCOCC3)C2(c2ccco2)N2CCCC2)c1
InChIInChI=1S/C26H29N5O4S/c1-2-12-29(11-1)25(21-7-4-15-33-21)23(20-6-3-9-27-20)35-31(22-8-5-19-36-22)26(25,24-28-10-16-34-24)30-13-17-32-18-14-30/h3-10,15-16,19,23,27H,1-2,11-14,17-18H2
InChIKeyXEZWELIHZXHDKN-UHFFFAOYSA-N
MW507.62 g/mol
LogP4.33
Rot. Bonds6

About 4-[4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidin-3-yl]morpholine

4-[4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidin-3-yl]morpholine (PubChem CID 141075075) has the molecular formula C26H29N5O4S and a molecular weight of 507.62 g/mol. Its IUPAC name is 4-[4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidin-3-yl]morpholine
PubChem CID141075075
Molecular FormulaC26H29N5O4S
Molecular Weight507.62 g/mol
Exact Mass507.19
IUPAC Name4-[4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidin-3-yl]morpholine
SMILESc1c[nH]c(C2ON(c3cccs3)C(c3ncco3)(N3CCOCC3)C2(c2ccco2)N2CCCC2)c1
InChIInChI=1S/C26H29N5O4S/c1-2-12-29(11-1)25(21-7-4-15-33-21)23(20-6-3-9-27-20)35-31(22-8-5-19-36-22)26(25,24-28-10-16-34-24)30-13-17-32-18-14-30/h3-10,15-16,19,23,27H,1-2,11-14,17-18H2
InChIKeyXEZWELIHZXHDKN-UHFFFAOYSA-N
XLogP4.33
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.62
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidin-3-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidin-3-yl]morpholine?
The IUPAC name of 4-[4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidin-3-yl]morpholine (CID 141075075) is 4-[4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidin-3-yl]morpholine.
What is the SMILES notation for 4-[4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidin-3-yl]morpholine?
The canonical SMILES for 4-[4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidin-3-yl]morpholine is c1c[nH]c(C2ON(c3cccs3)C(c3ncco3)(N3CCOCC3)C2(c2ccco2)N2CCCC2)c1.
What is the InChIKey of 4-[4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidin-3-yl]morpholine?
The InChIKey is XEZWELIHZXHDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4S/c1-2-12-29(11-1)25(21-7-4-15-33-21)23(20-6-3-9-27-20)35-31(22-8-5-19-36-22)26(25,24-28-10-16-34-24)30-13-17-32-18-14-30/h3-10,15-16,19,23,27H,1-2,11-14,17-18H2.
What are the key properties of 4-[4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidin-3-yl]morpholine?
4-[4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidin-3-yl]morpholine has a molecular weight of 507.62 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidin-3-yl]morpholine is sourced from PubChem (CID 141075075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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