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

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

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Related Compounds

(S)-N-{3-[4-(8-aza-1-thia-4-oxa-spiro[4.5]dec-8-yl)-3-fluorophenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 11212006
1-(3-Methylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 42960505
1-(4-Fluorophenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 42960507
N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thiomorpholine-4-carboxamide
CID 47039670
N-[2-(2-Oxo-1,3-oxazolidin-3-YL)phenyl]thiomorpholine-4-carboxamide
CID 72848232
1-(2-Fluorophenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 47030793
1-(2,4-Difluorophenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 51114935
[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylurea
CID 10736836
[(4S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-4-yl]methylthiourea
CID 53823556
N-[[3-[3-fluoro-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68698639
tert-butyl 4-[4-[(5S)-5-[(carbamoylamino)-sulfanylmethyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carboxylate
CID 87333262
2-[[(5S)-3-[3-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethanethial
CID 87824623

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).