1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

C16H21N3O5 — CID 118771882

IUPAC1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
SMILESCCO[C@H]1COC[C@@H]1NC(=O)Nc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C16H21N3O5/c1-2-23-14-10-22-9-13(14)18-15(20)17-11-4-3-5-12(8-11)19-6-7-24-16(19)21/h3-5,8,13-14H,2,6-7,9-10H2,1H3,(H2,17,18,20)/t13-,14-/m0/s1
InChIKeyYOUDLBHUXMRMAJ-KBPBESRZSA-N
MW335.36 g/mol
LogP1.57
Rot. Bonds5

About 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (PubChem CID 118771882) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
PubChem CID118771882
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
SMILESCCO[C@H]1COC[C@@H]1NC(=O)Nc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C16H21N3O5/c1-2-23-14-10-22-9-13(14)18-15(20)17-11-4-3-5-12(8-11)19-6-7-24-16(19)21/h3-5,8,13-14H,2,6-7,9-10H2,1H3,(H2,17,18,20)/t13-,14-/m0/s1
InChIKeyYOUDLBHUXMRMAJ-KBPBESRZSA-N
XLogP1.57
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea with MolForge

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Related Compounds

N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-phenylacetamide
CID 110874037
2-(4-fluorophenoxy)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide
CID 39140496
2-amino-4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
CID 62475194
1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea
CID 156608000
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
CID 61178628
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 47033950
(2R,3S)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide
CID 97022624
(2S,3R)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide
CID 97022621
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 95329562
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 55697871
2,2,3,3-tetrafluoro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanamide
CID 103732683
1-amino-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxamide
CID 60852641

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The IUPAC name of 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (CID 118771882) is 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.
What is the SMILES notation for 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The canonical SMILES for 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is CCO[C@H]1COC[C@@H]1NC(=O)Nc1cccc(N2CCOC2=O)c1.
What is the InChIKey of 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The InChIKey is YOUDLBHUXMRMAJ-KBPBESRZSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-2-23-14-10-22-9-13(14)18-15(20)17-11-4-3-5-12(8-11)19-6-7-24-16(19)21/h3-5,8,13-14H,2,6-7,9-10H2,1H3,(H2,17,18,20)/t13-,14-/m0/s1.
What are the key properties of 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea has a molecular weight of 335.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is sourced from PubChem (CID 118771882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).