ethane;N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-propan-2-ylidene-1,3-oxazolidin-5-yl]methyl]acetamide

C21H32FN3O3 — CID 143554302

IUPACethane;N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-propan-2-ylidene-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC.CC(=O)NCC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=C(C)C)O1
InChIInChI=1S/C19H26FN3O3.C2H6/c1-13(2)19-23(12-16(26-19)11-21-14(3)24)15-4-5-18(17(20)10-15)22-6-8-25-9-7-22;1-2/h4-5,10,16H,6-9,11-12H2,1-3H3,(H,21,24);1-2H3
InChIKeyWBZXKJPHKIDNRK-UHFFFAOYSA-N
MW393.50 g/mol
LogP3.28
Rot. Bonds4

About ethane;N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-propan-2-ylidene-1,3-oxazolidin-5-yl]methyl]acetamide

ethane;N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-propan-2-ylidene-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 143554302) has the molecular formula C21H32FN3O3 and a molecular weight of 393.50 g/mol. Its IUPAC name is ethane;N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-propan-2-ylidene-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Nameethane;N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-propan-2-ylidene-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID143554302
Molecular FormulaC21H32FN3O3
Molecular Weight393.50 g/mol
Exact Mass393.24
IUPAC Nameethane;N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-propan-2-ylidene-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC.CC(=O)NCC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=C(C)C)O1
InChIInChI=1S/C19H26FN3O3.C2H6/c1-13(2)19-23(12-16(26-19)11-21-14(3)24)15-4-5-18(17(20)10-15)22-6-8-25-9-7-22;1-2/h4-5,10,16H,6-9,11-12H2,1-3H3,(H,21,24);1-2H3
InChIKeyWBZXKJPHKIDNRK-UHFFFAOYSA-N
XLogP3.28
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[3-fluoro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462598
(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
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;1,3-oxazolidin-2-one
CID 68810299
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 12040041
N-[[3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67226556
2-bromo-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58901427
N-[[3-[3-fluoro-4-(1,5-thiazocan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 126483722
N-[[(5S)-3-[3-fluoro-4-(2,2,6,6-tetradeuteriomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane
CID 158186766
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-dimethylpropanamide
CID 10156575
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
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

Frequently Asked Questions

What is the IUPAC name of ethane;N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-propan-2-ylidene-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of ethane;N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-propan-2-ylidene-1,3-oxazolidin-5-yl]methyl]acetamide (CID 143554302) is ethane;N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-propan-2-ylidene-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for ethane;N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-propan-2-ylidene-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for ethane;N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-propan-2-ylidene-1,3-oxazolidin-5-yl]methyl]acetamide is CC.CC(=O)NCC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=C(C)C)O1.
What is the InChIKey of ethane;N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-propan-2-ylidene-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is WBZXKJPHKIDNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3.C2H6/c1-13(2)19-23(12-16(26-19)11-21-14(3)24)15-4-5-18(17(20)10-15)22-6-8-25-9-7-22;1-2/h4-5,10,16H,6-9,11-12H2,1-3H3,(H,21,24);1-2H3.
What are the key properties of ethane;N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-propan-2-ylidene-1,3-oxazolidin-5-yl]methyl]acetamide?
ethane;N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-propan-2-ylidene-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 393.50 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-propan-2-ylidene-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 143554302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).