N-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine

C16H19ClN4O2 — CID 86742471

IUPACN-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine
SMILESCC(=NO)C1CC(Cn2ccnc2)(c2ccc(Cl)cc2)N(C)O1
InChIInChI=1S/C16H19ClN4O2/c1-12(19-22)15-9-16(20(2)23-15,10-21-8-7-18-11-21)13-3-5-14(17)6-4-13/h3-8,11,15,22H,9-10H2,1-2H3
InChIKeyAAOXOLRTHHETNB-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.92
Rot. Bonds4

About N-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine

N-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine (PubChem CID 86742471) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is N-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine
PubChem CID86742471
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC NameN-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine
SMILESCC(=NO)C1CC(Cn2ccnc2)(c2ccc(Cl)cc2)N(C)O1
InChIInChI=1S/C16H19ClN4O2/c1-12(19-22)15-9-16(20(2)23-15,10-21-8-7-18-11-21)13-3-5-14(17)6-4-13/h3-8,11,15,22H,9-10H2,1-2H3
InChIKeyAAOXOLRTHHETNB-UHFFFAOYSA-N
XLogP2.92
TPSA62.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine 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-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol
CID 14326454
5-(cyclopentylmethyl)-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine
CID 14426214
5-(3,4-dimethoxyphenyl)-3-(imidazol-1-ylmethyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 14126012
1-[[1-(4-chlorophenyl)-2-(4-phenylphenyl)cyclopropyl]methyl]imidazole
CID 13326948
1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 70545882
1-[3-[2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolan-2-yl]propyl]imidazole
CID 20547718
1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole
CID 2783908
1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-1,3-dioxolan-2-yl]methyl]imidazole;oxalic acid
CID 20547826
1-[[2-[2-(4-chlorophenyl)ethyl]-4-propyl-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547720
1-[4-[[2-(4-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]ethanone
CID 21318640
3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine
CID 14200000
[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 18648489

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine (CID 86742471) is N-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine is CC(=NO)C1CC(Cn2ccnc2)(c2ccc(Cl)cc2)N(C)O1.
What is the InChIKey of N-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine?
The InChIKey is AAOXOLRTHHETNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-12(19-22)15-9-16(20(2)23-15,10-21-8-7-18-11-21)13-3-5-14(17)6-4-13/h3-8,11,15,22H,9-10H2,1-2H3.
What are the key properties of N-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine?
N-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine has a molecular weight of 334.81 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 86742471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).