(5Z)-5-(chloromethylidene)-N-(4-methoxyphenyl)-3-methyl-1,3-oxazolidin-2-imine

C12H13ClN2O2 — CID 177393210

IUPAC(5Z)-5-(chloromethylidene)-N-(4-methoxyphenyl)-3-methyl-1,3-oxazolidin-2-imine
SMILESCOc1ccc(/N=C2\O/C(=C\Cl)CN2C)cc1
InChIInChI=1S/C12H13ClN2O2/c1-15-8-11(7-13)17-12(15)14-9-3-5-10(16-2)6-4-9/h3-7H,8H2,1-2H3/b11-7-,14-12-
InChIKeyHMDVWESGHKCVOA-QUGLMBAUSA-N
MW252.70 g/mol
LogP2.72
Rot. Bonds2

About (5Z)-5-(chloromethylidene)-N-(4-methoxyphenyl)-3-methyl-1,3-oxazolidin-2-imine

(5Z)-5-(chloromethylidene)-N-(4-methoxyphenyl)-3-methyl-1,3-oxazolidin-2-imine (PubChem CID 177393210) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is (5Z)-5-(chloromethylidene)-N-(4-methoxyphenyl)-3-methyl-1,3-oxazolidin-2-imine.

Molecular Properties

Compound Name(5Z)-5-(chloromethylidene)-N-(4-methoxyphenyl)-3-methyl-1,3-oxazolidin-2-imine
PubChem CID177393210
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name(5Z)-5-(chloromethylidene)-N-(4-methoxyphenyl)-3-methyl-1,3-oxazolidin-2-imine
SMILESCOc1ccc(/N=C2\O/C(=C\Cl)CN2C)cc1
InChIInChI=1S/C12H13ClN2O2/c1-15-8-11(7-13)17-12(15)14-9-3-5-10(16-2)6-4-9/h3-7H,8H2,1-2H3/b11-7-,14-12-
InChIKeyHMDVWESGHKCVOA-QUGLMBAUSA-N
XLogP2.72
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine
CID 171055873
formyl chloride;1-methoxy-4-nitrosobenzene
CID 178153567
N-(4-methoxyphenyl)-2,6-dimethylcyclohexan-1-imine
CID 19962585
(4-methoxyphenyl)-[(E)-(1-methylpyrrolidin-2-ylidene)methyl]diazene
CID 44579194
(5Z)-N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine
CID 155541067
N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine
CID 5197614
(4-methoxyphenyl)-methyldiazene
CID 20589170
ethane;methyl N-(4-methoxyphenyl)methanimidothioate
CID 143173626
2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine
CID 584090
3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one
CID 76574452
2-(4-methoxyphenyl)iminoacetic acid
CID 21289850
4-diazo-N-(4-methoxyphenyl)cyclohex-2-en-1-imine
CID 57029803

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(chloromethylidene)-N-(4-methoxyphenyl)-3-methyl-1,3-oxazolidin-2-imine?
The IUPAC name of (5Z)-5-(chloromethylidene)-N-(4-methoxyphenyl)-3-methyl-1,3-oxazolidin-2-imine (CID 177393210) is (5Z)-5-(chloromethylidene)-N-(4-methoxyphenyl)-3-methyl-1,3-oxazolidin-2-imine.
What is the SMILES notation for (5Z)-5-(chloromethylidene)-N-(4-methoxyphenyl)-3-methyl-1,3-oxazolidin-2-imine?
The canonical SMILES for (5Z)-5-(chloromethylidene)-N-(4-methoxyphenyl)-3-methyl-1,3-oxazolidin-2-imine is COc1ccc(/N=C2\O/C(=C\Cl)CN2C)cc1.
What is the InChIKey of (5Z)-5-(chloromethylidene)-N-(4-methoxyphenyl)-3-methyl-1,3-oxazolidin-2-imine?
The InChIKey is HMDVWESGHKCVOA-QUGLMBAUSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-15-8-11(7-13)17-12(15)14-9-3-5-10(16-2)6-4-9/h3-7H,8H2,1-2H3/b11-7-,14-12-.
What are the key properties of (5Z)-5-(chloromethylidene)-N-(4-methoxyphenyl)-3-methyl-1,3-oxazolidin-2-imine?
(5Z)-5-(chloromethylidene)-N-(4-methoxyphenyl)-3-methyl-1,3-oxazolidin-2-imine has a molecular weight of 252.70 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(chloromethylidene)-N-(4-methoxyphenyl)-3-methyl-1,3-oxazolidin-2-imine is sourced from PubChem (CID 177393210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).