3-[2-hydroxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol

C15H20N2O3 — CID 111112523

IUPAC3-[2-hydroxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol
SMILESOCCCN(CCO)Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C15H20N2O3/c18-9-4-7-17(8-10-19)12-15-16-11-14(20-15)13-5-2-1-3-6-13/h1-3,5-6,11,18-19H,4,7-10,12H2
InChIKeyBVFWSMFENTWFAH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.52
Rot. Bonds8

About 3-[2-hydroxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol

3-[2-hydroxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol (PubChem CID 111112523) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[2-hydroxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[2-hydroxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol
PubChem CID111112523
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[2-hydroxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol
SMILESOCCCN(CCO)Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C15H20N2O3/c18-9-4-7-17(8-10-19)12-15-16-11-14(20-15)13-5-2-1-3-6-13/h1-3,5-6,11,18-19H,4,7-10,12H2
InChIKeyBVFWSMFENTWFAH-UHFFFAOYSA-N
XLogP1.52
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]ethanol
CID 115631921
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 111487788
2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
CID 60689589
2-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 111487783
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol
CID 60696759
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109909
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol
CID 111487479
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]ethanol
CID 60686061
2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
CID 60686062
3-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propanoic acid
CID 61010033
2-(3-chloropropyl)-5-phenyl-1,3-oxazole
CID 10353470
2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79276984

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[2-hydroxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol (CID 111112523) is 3-[2-hydroxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[2-hydroxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[2-hydroxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol is OCCCN(CCO)Cc1ncc(-c2ccccc2)o1.
What is the InChIKey of 3-[2-hydroxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol?
The InChIKey is BVFWSMFENTWFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-9-4-7-17(8-10-19)12-15-16-11-14(20-15)13-5-2-1-3-6-13/h1-3,5-6,11,18-19H,4,7-10,12H2.
What are the key properties of 3-[2-hydroxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol?
3-[2-hydroxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol has a molecular weight of 276.34 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 111112523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).