3-[benzhydryl(1,3-benzoxazol-2-ylmethyl)amino]propan-1-ol

C24H24N2O2 — CID 56514677

IUPAC3-[benzhydryl(1,3-benzoxazol-2-ylmethyl)amino]propan-1-ol
SMILESOCCCN(Cc1nc2ccccc2o1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O2/c27-17-9-16-26(18-23-25-21-14-7-8-15-22(21)28-23)24(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-8,10-15,24,27H,9,16-18H2
InChIKeyLTURPECIRWVYIR-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.80
Rot. Bonds8

About 3-[benzhydryl(1,3-benzoxazol-2-ylmethyl)amino]propan-1-ol

3-[benzhydryl(1,3-benzoxazol-2-ylmethyl)amino]propan-1-ol (PubChem CID 56514677) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[benzhydryl(1,3-benzoxazol-2-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[benzhydryl(1,3-benzoxazol-2-ylmethyl)amino]propan-1-ol
PubChem CID56514677
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name3-[benzhydryl(1,3-benzoxazol-2-ylmethyl)amino]propan-1-ol
SMILESOCCCN(Cc1nc2ccccc2o1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O2/c27-17-9-16-26(18-23-25-21-14-7-8-15-22(21)28-23)24(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-8,10-15,24,27H,9,16-18H2
InChIKeyLTURPECIRWVYIR-UHFFFAOYSA-N
XLogP4.80
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[benzhydryl(1,3-benzoxazol-2-ylmethyl)amino]propan-1-ol 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

3-[benzhydryl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propan-1-ol
CID 111111050
N-(1,3-benzoxazol-2-ylmethyl)-1-(4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 18144888
2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol
CID 60967481
3-[benzhydryl(butyl)amino]propan-1-ol
CID 56583759
2-[(2R)-2-phenylpropyl]-1,3-benzoxazole
CID 134964619
2-(2-bromo-2-phenylethyl)-1,3-benzoxazole
CID 66458807
2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanol
CID 111101944
2-[1,3-benzoxazol-2-ylmethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425891
2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol
CID 66460868
4-(1,3-benzoxazol-2-ylsulfanyl)butan-1-ol
CID 43510116
2-[1,3-benzoxazol-2-yl(benzyl)amino]ethanol
CID 60979792
2-ethyl-1,3-benzoxazole
CID 23239

Frequently Asked Questions

What is the IUPAC name of 3-[benzhydryl(1,3-benzoxazol-2-ylmethyl)amino]propan-1-ol?
The IUPAC name of 3-[benzhydryl(1,3-benzoxazol-2-ylmethyl)amino]propan-1-ol (CID 56514677) is 3-[benzhydryl(1,3-benzoxazol-2-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[benzhydryl(1,3-benzoxazol-2-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 3-[benzhydryl(1,3-benzoxazol-2-ylmethyl)amino]propan-1-ol is OCCCN(Cc1nc2ccccc2o1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[benzhydryl(1,3-benzoxazol-2-ylmethyl)amino]propan-1-ol?
The InChIKey is LTURPECIRWVYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-17-9-16-26(18-23-25-21-14-7-8-15-22(21)28-23)24(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-8,10-15,24,27H,9,16-18H2.
What are the key properties of 3-[benzhydryl(1,3-benzoxazol-2-ylmethyl)amino]propan-1-ol?
3-[benzhydryl(1,3-benzoxazol-2-ylmethyl)amino]propan-1-ol has a molecular weight of 372.47 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzhydryl(1,3-benzoxazol-2-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 56514677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).