[5-[[methyl(3-phenoxypropyl)amino]methyl]-1,2-oxazol-3-yl]-diphenylmethanol

C27H28N2O3 — CID 146712664

IUPAC[5-[[methyl(3-phenoxypropyl)amino]methyl]-1,2-oxazol-3-yl]-diphenylmethanol
SMILESCN(CCCOc1ccccc1)Cc1cc(C(O)(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C27H28N2O3/c1-29(18-11-19-31-24-16-9-4-10-17-24)21-25-20-26(28-32-25)27(30,22-12-5-2-6-13-22)23-14-7-3-8-15-23/h2-10,12-17,20,30H,11,18-19,21H2,1H3
InChIKeyRCGJBZMLIOINER-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.86
Rot. Bonds10

About [5-[[methyl(3-phenoxypropyl)amino]methyl]-1,2-oxazol-3-yl]-diphenylmethanol

[5-[[methyl(3-phenoxypropyl)amino]methyl]-1,2-oxazol-3-yl]-diphenylmethanol (PubChem CID 146712664) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is [5-[[methyl(3-phenoxypropyl)amino]methyl]-1,2-oxazol-3-yl]-diphenylmethanol.

Molecular Properties

Compound Name[5-[[methyl(3-phenoxypropyl)amino]methyl]-1,2-oxazol-3-yl]-diphenylmethanol
PubChem CID146712664
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name[5-[[methyl(3-phenoxypropyl)amino]methyl]-1,2-oxazol-3-yl]-diphenylmethanol
SMILESCN(CCCOc1ccccc1)Cc1cc(C(O)(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C27H28N2O3/c1-29(18-11-19-31-24-16-9-4-10-17-24)21-25-20-26(28-32-25)27(30,22-12-5-2-6-13-22)23-14-7-3-8-15-23/h2-10,12-17,20,30H,11,18-19,21H2,1H3
InChIKeyRCGJBZMLIOINER-UHFFFAOYSA-N
XLogP4.86
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[hydroxy(diphenyl)methyl]-1,2-oxazol-5-yl]methyl-dimethyl-(3-phenoxypropyl)azanium
CID 24857094
[1-methyl-5-[[methyl(3-phenoxypropyl)amino]methyl]imidazol-2-yl]-diphenylmethanol
CID 143632867
4-[3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]propoxy]benzaldehyde
CID 87720668
2-hydroxy-3-[methyl(3-phenoxypropyl)amino]-2-phenylpropanamide
CID 122154557
N-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide
CID 37119026
2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid
CID 62820736
4-[3-[benzyl(methyl)amino]propoxy]benzoic acid
CID 20991269
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine
CID 134038411
3-[[methyl(3-phenoxypropyl)amino]methyl]aniline
CID 62935749
3-[methyl-[3-(4-phenoxyphenoxy)propyl]amino]propanoic acid
CID 11823669
ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
CID 19816767
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278

Frequently Asked Questions

What is the IUPAC name of [5-[[methyl(3-phenoxypropyl)amino]methyl]-1,2-oxazol-3-yl]-diphenylmethanol?
The IUPAC name of [5-[[methyl(3-phenoxypropyl)amino]methyl]-1,2-oxazol-3-yl]-diphenylmethanol (CID 146712664) is [5-[[methyl(3-phenoxypropyl)amino]methyl]-1,2-oxazol-3-yl]-diphenylmethanol.
What is the SMILES notation for [5-[[methyl(3-phenoxypropyl)amino]methyl]-1,2-oxazol-3-yl]-diphenylmethanol?
The canonical SMILES for [5-[[methyl(3-phenoxypropyl)amino]methyl]-1,2-oxazol-3-yl]-diphenylmethanol is CN(CCCOc1ccccc1)Cc1cc(C(O)(c2ccccc2)c2ccccc2)no1.
What is the InChIKey of [5-[[methyl(3-phenoxypropyl)amino]methyl]-1,2-oxazol-3-yl]-diphenylmethanol?
The InChIKey is RCGJBZMLIOINER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-29(18-11-19-31-24-16-9-4-10-17-24)21-25-20-26(28-32-25)27(30,22-12-5-2-6-13-22)23-14-7-3-8-15-23/h2-10,12-17,20,30H,11,18-19,21H2,1H3.
What are the key properties of [5-[[methyl(3-phenoxypropyl)amino]methyl]-1,2-oxazol-3-yl]-diphenylmethanol?
[5-[[methyl(3-phenoxypropyl)amino]methyl]-1,2-oxazol-3-yl]-diphenylmethanol has a molecular weight of 428.53 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[methyl(3-phenoxypropyl)amino]methyl]-1,2-oxazol-3-yl]-diphenylmethanol is sourced from PubChem (CID 146712664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).