2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine

C26H27N2O4P — CID 18884221

IUPAC2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine
SMILESCOP(=O)(OC)c1nc(C(c2ccccc2)c2ccccc2)oc1NCCc1ccccc1
InChIInChI=1S/C26H27N2O4P/c1-30-33(29,31-2)26-25(27-19-18-20-12-6-3-7-13-20)32-24(28-26)23(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23,27H,18-19H2,1-2H3
InChIKeyUVJRXNAHBDGLCV-UHFFFAOYSA-N
MW462.49 g/mol
LogP5.62
Rot. Bonds10

About 2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine

2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine (PubChem CID 18884221) has the molecular formula C26H27N2O4P and a molecular weight of 462.49 g/mol. Its IUPAC name is 2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine
PubChem CID18884221
Molecular FormulaC26H27N2O4P
Molecular Weight462.49 g/mol
Exact Mass462.17
IUPAC Name2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine
SMILESCOP(=O)(OC)c1nc(C(c2ccccc2)c2ccccc2)oc1NCCc1ccccc1
InChIInChI=1S/C26H27N2O4P/c1-30-33(29,31-2)26-25(27-19-18-20-12-6-3-7-13-20)32-24(28-26)23(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23,27H,18-19H2,1-2H3
InChIKeyUVJRXNAHBDGLCV-UHFFFAOYSA-N
XLogP5.62
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.49
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methane;2-methyl-1-phenyl-N-(2-phenylethyl)propan-1-amine
CID 70638594
2-benzhydryl-N-benzyl-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
CID 18889824
3-N-(2-methoxyethyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112943506
3-N-(1-phenylethyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949051
ethane;N-(2-phenylethyl)aniline
CID 91194556
[2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate
CID 7811561
2-(3-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 73254074
6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225
1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
ethyl 5-(3-phenylpropylsulfanyl)-1,3,4-oxadiazole-2-carboxylate
CID 116699772
6-ethylsulfanyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82548837

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine?
The IUPAC name of 2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine (CID 18884221) is 2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine?
The canonical SMILES for 2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine is COP(=O)(OC)c1nc(C(c2ccccc2)c2ccccc2)oc1NCCc1ccccc1.
What is the InChIKey of 2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine?
The InChIKey is UVJRXNAHBDGLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N2O4P/c1-30-33(29,31-2)26-25(27-19-18-20-12-6-3-7-13-20)32-24(28-26)23(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23,27H,18-19H2,1-2H3.
What are the key properties of 2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine?
2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine has a molecular weight of 462.49 g/mol, XLogP of 5.62, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18884221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).