1-[amino(1,2-oxazolidin-2-yl)methylidene]-3-(2,6-dimethylphenyl)urea

C13H18N4O2 — CID 54427891

IUPAC1-[amino(1,2-oxazolidin-2-yl)methylidene]-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)N=C(N)N1CCCO1
InChIInChI=1S/C13H18N4O2/c1-9-5-3-6-10(2)11(9)15-13(18)16-12(14)17-7-4-8-19-17/h3,5-6H,4,7-8H2,1-2H3,(H3,14,15,16,18)
InChIKeyWFKKHOLCFARCOR-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.79
Rot. Bonds1

About 1-[amino(1,2-oxazolidin-2-yl)methylidene]-3-(2,6-dimethylphenyl)urea

1-[amino(1,2-oxazolidin-2-yl)methylidene]-3-(2,6-dimethylphenyl)urea (PubChem CID 54427891) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[amino(1,2-oxazolidin-2-yl)methylidene]-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[amino(1,2-oxazolidin-2-yl)methylidene]-3-(2,6-dimethylphenyl)urea
PubChem CID54427891
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-[amino(1,2-oxazolidin-2-yl)methylidene]-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)N=C(N)N1CCCO1
InChIInChI=1S/C13H18N4O2/c1-9-5-3-6-10(2)11(9)15-13(18)16-12(14)17-7-4-8-19-17/h3,5-6H,4,7-8H2,1-2H3,(H3,14,15,16,18)
InChIKeyWFKKHOLCFARCOR-UHFFFAOYSA-N
XLogP1.79
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride
CID 3052078
1-[amino(piperidin-1-yl)methylidene]-3-(2-bromo-6-methylphenyl)urea
CID 54132765
1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea
CID 3050627
1-(2,6-dimethylphenyl)-3-pyrrolidin-1-ylurea
CID 71409374
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
(2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1443541
N-(2,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropanamide;hydrochloride
CID 174853192
N-(2,6-dimethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)acetamide
CID 167289604
1-[amino(diethylamino)methylidene]-3-(2-bromo-6-methylphenyl)urea
CID 54554086
(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride
CID 66586222
1-N-tert-butyl-2-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139597
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119

Frequently Asked Questions

What is the IUPAC name of 1-[amino(1,2-oxazolidin-2-yl)methylidene]-3-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-[amino(1,2-oxazolidin-2-yl)methylidene]-3-(2,6-dimethylphenyl)urea (CID 54427891) is 1-[amino(1,2-oxazolidin-2-yl)methylidene]-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-[amino(1,2-oxazolidin-2-yl)methylidene]-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-[amino(1,2-oxazolidin-2-yl)methylidene]-3-(2,6-dimethylphenyl)urea is Cc1cccc(C)c1NC(=O)N=C(N)N1CCCO1.
What is the InChIKey of 1-[amino(1,2-oxazolidin-2-yl)methylidene]-3-(2,6-dimethylphenyl)urea?
The InChIKey is WFKKHOLCFARCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-5-3-6-10(2)11(9)15-13(18)16-12(14)17-7-4-8-19-17/h3,5-6H,4,7-8H2,1-2H3,(H3,14,15,16,18).
What are the key properties of 1-[amino(1,2-oxazolidin-2-yl)methylidene]-3-(2,6-dimethylphenyl)urea?
1-[amino(1,2-oxazolidin-2-yl)methylidene]-3-(2,6-dimethylphenyl)urea has a molecular weight of 262.31 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(1,2-oxazolidin-2-yl)methylidene]-3-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 54427891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).