methyl N-[[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidin-4-ylidene]amino]carbamate

C16H19FN4O4 — CID 139681959

IUPACmethyl N-[[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidin-4-ylidene]amino]carbamate
SMILESCOC(=O)NN=C1CCN(c2ccc(N3CCOC3=O)cc2F)CC1
InChIInChI=1S/C16H19FN4O4/c1-24-15(22)19-18-11-4-6-20(7-5-11)14-3-2-12(10-13(14)17)21-8-9-25-16(21)23/h2-3,10H,4-9H2,1H3,(H,19,22)
InChIKeyMSLBESYDGWKMLR-UHFFFAOYSA-N
MW350.35 g/mol
LogP2.09
Rot. Bonds3

About methyl N-[[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidin-4-ylidene]amino]carbamate

methyl N-[[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidin-4-ylidene]amino]carbamate (PubChem CID 139681959) has the molecular formula C16H19FN4O4 and a molecular weight of 350.35 g/mol. Its IUPAC name is methyl N-[[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidin-4-ylidene]amino]carbamate.

Molecular Properties

Compound Namemethyl N-[[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidin-4-ylidene]amino]carbamate
PubChem CID139681959
Molecular FormulaC16H19FN4O4
Molecular Weight350.35 g/mol
Exact Mass350.14
IUPAC Namemethyl N-[[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidin-4-ylidene]amino]carbamate
SMILESCOC(=O)NN=C1CCN(c2ccc(N3CCOC3=O)cc2F)CC1
InChIInChI=1S/C16H19FN4O4/c1-24-15(22)19-18-11-4-6-20(7-5-11)14-3-2-12(10-13(14)17)21-8-9-25-16(21)23/h2-3,10H,4-9H2,1H3,(H,19,22)
InChIKeyMSLBESYDGWKMLR-UHFFFAOYSA-N
XLogP2.09
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl N-[[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidin-4-ylidene]amino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 20785452
3-[3-fluoro-4-(3-methyl-4-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 140974557
tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate
CID 141011533
3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 142270175
3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid
CID 158400380
N-[[3-[3-fluoro-4-[4-[2-(methoxymethoxy)ethoxyimino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22913016
N-[[3-[3-fluoro-4-[4-(1,2,4-triazol-4-ylimino)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22913066
methyl 3-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoate
CID 22943686
methyl N-[(3R,4R)-1-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methylpyrrolidin-3-yl]carbamate
CID 173302482
ethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate
CID 142694824
tert-butyl N-[2-[[3-[3-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate
CID 174280642
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 95329562

Frequently Asked Questions

What is the IUPAC name of methyl N-[[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidin-4-ylidene]amino]carbamate?
The IUPAC name of methyl N-[[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidin-4-ylidene]amino]carbamate (CID 139681959) is methyl N-[[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidin-4-ylidene]amino]carbamate.
What is the SMILES notation for methyl N-[[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidin-4-ylidene]amino]carbamate?
The canonical SMILES for methyl N-[[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidin-4-ylidene]amino]carbamate is COC(=O)NN=C1CCN(c2ccc(N3CCOC3=O)cc2F)CC1.
What is the InChIKey of methyl N-[[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidin-4-ylidene]amino]carbamate?
The InChIKey is MSLBESYDGWKMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O4/c1-24-15(22)19-18-11-4-6-20(7-5-11)14-3-2-12(10-13(14)17)21-8-9-25-16(21)23/h2-3,10H,4-9H2,1H3,(H,19,22).
What are the key properties of methyl N-[[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidin-4-ylidene]amino]carbamate?
methyl N-[[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidin-4-ylidene]amino]carbamate has a molecular weight of 350.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidin-4-ylidene]amino]carbamate is sourced from PubChem (CID 139681959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).