1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

C19H26N4O4S — CID 55912125

IUPAC1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
SMILESO=C(NCC1(N2CCOCC2)CCSC1)Nc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C19H26N4O4S/c24-17(20-13-19(5-12-28-14-19)22-6-9-26-10-7-22)21-15-1-3-16(4-2-15)23-8-11-27-18(23)25/h1-4H,5-14H2,(H2,20,21,24)
InChIKeyRUJIFXREGCIOKM-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.97
Rot. Bonds5

About 1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (PubChem CID 55912125) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
PubChem CID55912125
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
SMILESO=C(NCC1(N2CCOCC2)CCSC1)Nc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C19H26N4O4S/c24-17(20-13-19(5-12-28-14-19)22-6-9-26-10-7-22)21-15-1-3-16(4-2-15)23-8-11-27-18(23)25/h1-4H,5-14H2,(H2,20,21,24)
InChIKeyRUJIFXREGCIOKM-UHFFFAOYSA-N
XLogP1.97
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The IUPAC name of 1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (CID 55912125) is 1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.
What is the SMILES notation for 1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The canonical SMILES for 1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is O=C(NCC1(N2CCOCC2)CCSC1)Nc1ccc(N2CCOC2=O)cc1.
What is the InChIKey of 1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The InChIKey is RUJIFXREGCIOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c24-17(20-13-19(5-12-28-14-19)22-6-9-26-10-7-22)21-15-1-3-16(4-2-15)23-8-11-27-18(23)25/h1-4H,5-14H2,(H2,20,21,24).
What are the key properties of 1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea has a molecular weight of 406.51 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is sourced from PubChem (CID 55912125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).