2-[(Z)-[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-2,1-benzoxazol-4-ylidene]amino]guanidine;hydrochloride

C15H17Cl2N5O — CID 18317798

IUPAC2-[(Z)-[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-2,1-benzoxazol-4-ylidene]amino]guanidine;hydrochloride
SMILESCc1onc2c1/C(=N\N=C(N)N)CC(c1ccccc1Cl)C2.Cl
InChIInChI=1S/C15H16ClN5O.ClH/c1-8-14-12(19-20-15(17)18)6-9(7-13(14)21-22-8)10-4-2-3-5-11(10)16;/h2-5,9H,6-7H2,1H3,(H4,17,18,20);1H/b19-12-;
InChIKeyGCEVCJIODVJXHW-JHMJKTBASA-N
MW354.24 g/mol
LogP2.77
Rot. Bonds2

About 2-[(Z)-[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-2,1-benzoxazol-4-ylidene]amino]guanidine;hydrochloride

2-[(Z)-[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-2,1-benzoxazol-4-ylidene]amino]guanidine;hydrochloride (PubChem CID 18317798) has the molecular formula C15H17Cl2N5O and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-[(Z)-[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-2,1-benzoxazol-4-ylidene]amino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(Z)-[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-2,1-benzoxazol-4-ylidene]amino]guanidine;hydrochloride
PubChem CID18317798
Molecular FormulaC15H17Cl2N5O
Molecular Weight354.24 g/mol
Exact Mass353.08
IUPAC Name2-[(Z)-[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-2,1-benzoxazol-4-ylidene]amino]guanidine;hydrochloride
SMILESCc1onc2c1/C(=N\N=C(N)N)CC(c1ccccc1Cl)C2.Cl
InChIInChI=1S/C15H16ClN5O.ClH/c1-8-14-12(19-20-15(17)18)6-9(7-13(14)21-22-8)10-4-2-3-5-11(10)16;/h2-5,9H,6-7H2,1H3,(H4,17,18,20);1H/b19-12-;
InChIKeyGCEVCJIODVJXHW-JHMJKTBASA-N
XLogP2.77
TPSA102.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]guanidine
CID 10871191
2-[[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]guanidine
CID 57238782
2-[[7-(2-chlorophenyl)-4-ethoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 70163198
2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57059464
2-[(E)-[2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-ylidene]amino]guanidine;hydrochloride
CID 45261272
2-[(Z)-[6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine;hydrochloride
CID 135581655
2-[(E)-[6-(2-chlorophenyl)-3-methyl-1-methylsulfonyl-6,7-dihydro-5H-indol-4-ylidene]amino]guanidine
CID 18317316
2-[(E)-[3-methyl-6-(2-methylphenyl)-1,5,6,7-tetrahydroindol-4-ylidene]amino]guanidine;hydrochloride
CID 135581637
2-[[7-(2-chloro-5-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 70163380
2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]-1-hydroxyguanidine
CID 173270496
2-[[7-(2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 70162401
2-[(Z)-[6-(2-chlorophenyl)-3-methyl-1-(3-phenylpropyl)-6,7-dihydro-5H-indazol-4-ylidene]amino]guanidine
CID 18317448

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-2,1-benzoxazol-4-ylidene]amino]guanidine;hydrochloride?
The IUPAC name of 2-[(Z)-[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-2,1-benzoxazol-4-ylidene]amino]guanidine;hydrochloride (CID 18317798) is 2-[(Z)-[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-2,1-benzoxazol-4-ylidene]amino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(Z)-[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-2,1-benzoxazol-4-ylidene]amino]guanidine;hydrochloride?
The canonical SMILES for 2-[(Z)-[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-2,1-benzoxazol-4-ylidene]amino]guanidine;hydrochloride is Cc1onc2c1/C(=N\N=C(N)N)CC(c1ccccc1Cl)C2.Cl.
What is the InChIKey of 2-[(Z)-[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-2,1-benzoxazol-4-ylidene]amino]guanidine;hydrochloride?
The InChIKey is GCEVCJIODVJXHW-JHMJKTBASA-N. The full InChI is InChI=1S/C15H16ClN5O.ClH/c1-8-14-12(19-20-15(17)18)6-9(7-13(14)21-22-8)10-4-2-3-5-11(10)16;/h2-5,9H,6-7H2,1H3,(H4,17,18,20);1H/b19-12-;.
What are the key properties of 2-[(Z)-[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-2,1-benzoxazol-4-ylidene]amino]guanidine;hydrochloride?
2-[(Z)-[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-2,1-benzoxazol-4-ylidene]amino]guanidine;hydrochloride has a molecular weight of 354.24 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-2,1-benzoxazol-4-ylidene]amino]guanidine;hydrochloride is sourced from PubChem (CID 18317798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).