5-(4-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine

C20H17ClN5O2P — CID 12533205

IUPAC5-(4-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine
SMILESO=P(Nc1ccccc1)(Nc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H17ClN5O2P/c21-16-13-11-15(12-14-16)19-22-23-20(28-19)26-29(27,24-17-7-3-1-4-8-17)25-18-9-5-2-6-10-18/h1-14H,(H3,23,24,25,26,27)
InChIKeyLOHOPENBLHXARU-UHFFFAOYSA-N
MW425.82 g/mol
LogP6.13
Rot. Bonds7

About 5-(4-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine

5-(4-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine (PubChem CID 12533205) has the molecular formula C20H17ClN5O2P and a molecular weight of 425.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine
PubChem CID12533205
Molecular FormulaC20H17ClN5O2P
Molecular Weight425.82 g/mol
Exact Mass425.08
IUPAC Name5-(4-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine
SMILESO=P(Nc1ccccc1)(Nc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H17ClN5O2P/c21-16-13-11-15(12-14-16)19-22-23-20(28-19)26-29(27,24-17-7-3-1-4-8-17)25-18-9-5-2-6-10-18/h1-14H,(H3,23,24,25,26,27)
InChIKeyLOHOPENBLHXARU-UHFFFAOYSA-N
XLogP6.13
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.82
LogP ≤ 56.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine
CID 12533203
5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 11463599
N,5-diphenyl-1,3,4-oxadiazol-2-amine
CID 12616884
4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol
CID 176729719
N-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 70676807
(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanoic acid
CID 178127977
2,5-dichloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4122330
5-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 86058835
2-[(4-chlorobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45017764
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide
CID 5185834
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 4638672
(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanal
CID 178127775

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine (CID 12533205) is 5-(4-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine is O=P(Nc1ccccc1)(Nc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-(4-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine?
The InChIKey is LOHOPENBLHXARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN5O2P/c21-16-13-11-15(12-14-16)19-22-23-20(28-19)26-29(27,24-17-7-3-1-4-8-17)25-18-9-5-2-6-10-18/h1-14H,(H3,23,24,25,26,27).
What are the key properties of 5-(4-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine?
5-(4-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine has a molecular weight of 425.82 g/mol, XLogP of 6.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 12533205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).