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

C20H17ClN5O2P — CID 12533203

IUPAC5-(3-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine
SMILESO=P(Nc1ccccc1)(Nc1ccccc1)Nc1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C20H17ClN5O2P/c21-16-9-7-8-15(14-16)19-22-23-20(28-19)26-29(27,24-17-10-3-1-4-11-17)25-18-12-5-2-6-13-18/h1-14H,(H3,23,24,25,26,27)
InChIKeyWVJMPDGATSKIJX-UHFFFAOYSA-N
MW425.82 g/mol
LogP6.13
Rot. Bonds7

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

5-(3-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine (PubChem CID 12533203) has the molecular formula C20H17ClN5O2P and a molecular weight of 425.82 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine
PubChem CID12533203
Molecular FormulaC20H17ClN5O2P
Molecular Weight425.82 g/mol
Exact Mass425.08
IUPAC Name5-(3-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine
SMILESO=P(Nc1ccccc1)(Nc1ccccc1)Nc1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C20H17ClN5O2P/c21-16-9-7-8-15(14-16)19-22-23-20(28-19)26-29(27,24-17-10-3-1-4-11-17)25-18-12-5-2-6-13-18/h1-14H,(H3,23,24,25,26,27)
InChIKeyWVJMPDGATSKIJX-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'}

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

5-(4-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine
CID 12533205
4-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]benzene-1,2-diamine
CID 66966375
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 16854327
[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylphosphonic acid
CID 155254162
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylbenzamide
CID 16854423
N,5-diphenyl-1,3,4-oxadiazol-2-amine
CID 12616884
2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 2806323
3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 22060846
4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-phenylbenzamide
CID 46675739
(2R)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 154782558
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 16854371
5-(3-chlorophenyl)-N-(3-cyanophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391484

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine (CID 12533203) is 5-(3-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine is O=P(Nc1ccccc1)(Nc1ccccc1)Nc1nnc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 5-(3-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine?
The InChIKey is WVJMPDGATSKIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN5O2P/c21-16-9-7-8-15(14-16)19-22-23-20(28-19)26-29(27,24-17-10-3-1-4-11-17)25-18-12-5-2-6-13-18/h1-14H,(H3,23,24,25,26,27).
What are the key properties of 5-(3-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine?
5-(3-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-(3-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 12533203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).