[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfanylurea

C15H19FN4O4S — CID 174371329

IUPAC[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfanylurea
SMILESNC(=O)NSCC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H19FN4O4S/c16-12-7-10(1-2-13(12)19-3-5-23-6-4-19)20-8-11(24-15(20)22)9-25-18-14(17)21/h1-2,7,11H,3-6,8-9H2,(H3,17,18,21)
InChIKeyBYHMVYHKWRBARD-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.30
Rot. Bonds5

About [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfanylurea

[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfanylurea (PubChem CID 174371329) has the molecular formula C15H19FN4O4S and a molecular weight of 370.41 g/mol. Its IUPAC name is [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfanylurea.

Molecular Properties

Compound Name[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfanylurea
PubChem CID174371329
Molecular FormulaC15H19FN4O4S
Molecular Weight370.41 g/mol
Exact Mass370.11
IUPAC Name[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfanylurea
SMILESNC(=O)NSCC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H19FN4O4S/c16-12-7-10(1-2-13(12)19-3-5-23-6-4-19)20-8-11(24-15(20)22)9-25-18-14(17)21/h1-2,7,11H,3-6,8-9H2,(H3,17,18,21)
InChIKeyBYHMVYHKWRBARD-UHFFFAOYSA-N
XLogP1.30
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfanylurea with MolForge

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Launch Full Analysis

Related Compounds

2-amino-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10338067
2-bromo-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58901427
4-[[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]methylsulfanyl]butanamide;hydrochloride
CID 142826157
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 12040041
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-dimethylpropanamide
CID 10156575
3-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 69022376
3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 91473746
N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methylacetamide
CID 118689021
methyl 3-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoate
CID 22943686
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-[hydroxy(dimethyl)silyl]acetamide
CID 90213724
(2S)-2-amino-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylsulfanylbutanamide
CID 11189511
(5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 158962850

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfanylurea?
The IUPAC name of [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfanylurea (CID 174371329) is [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfanylurea.
What is the SMILES notation for [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfanylurea?
The canonical SMILES for [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfanylurea is NC(=O)NSCC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1.
What is the InChIKey of [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfanylurea?
The InChIKey is BYHMVYHKWRBARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O4S/c16-12-7-10(1-2-13(12)19-3-5-23-6-4-19)20-8-11(24-15(20)22)9-25-18-14(17)21/h1-2,7,11H,3-6,8-9H2,(H3,17,18,21).
What are the key properties of [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfanylurea?
[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfanylurea has a molecular weight of 370.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfanylurea is sourced from PubChem (CID 174371329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).