6-(3-amino-1-hydroxypropyl)-3-propan-2-yl-1,3-benzoxazol-2-one

C13H18N2O3 — CID 82341318

IUPAC6-(3-amino-1-hydroxypropyl)-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)n1c(=O)oc2cc(C(O)CCN)ccc21
InChIInChI=1S/C13H18N2O3/c1-8(2)15-10-4-3-9(11(16)5-6-14)7-12(10)18-13(15)17/h3-4,7-8,11,16H,5-6,14H2,1-2H3
InChIKeyRFGPQKYRONKNEY-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.56
Rot. Bonds4

About 6-(3-amino-1-hydroxypropyl)-3-propan-2-yl-1,3-benzoxazol-2-one

6-(3-amino-1-hydroxypropyl)-3-propan-2-yl-1,3-benzoxazol-2-one (PubChem CID 82341318) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-(3-amino-1-hydroxypropyl)-3-propan-2-yl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(3-amino-1-hydroxypropyl)-3-propan-2-yl-1,3-benzoxazol-2-one
PubChem CID82341318
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-(3-amino-1-hydroxypropyl)-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)n1c(=O)oc2cc(C(O)CCN)ccc21
InChIInChI=1S/C13H18N2O3/c1-8(2)15-10-4-3-9(11(16)5-6-14)7-12(10)18-13(15)17/h3-4,7-8,11,16H,5-6,14H2,1-2H3
InChIKeyRFGPQKYRONKNEY-UHFFFAOYSA-N
XLogP1.56
TPSA81.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3-amino-1-hydroxypropyl)-3-propan-2-yl-1,3-benzoxazol-2-one with MolForge

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Related Compounds

6-(4-amino-1-hydroxybutyl)-3-methyl-1,3-benzoxazol-2-one
CID 82341274
6-(4-amino-1-hydroxybutyl)-3-propyl-1,3-benzoxazol-2-one
CID 82341307
5-(1-aminopropan-2-yl)-3-propan-2-yl-1,3-benzoxazol-2-one
CID 117340798
6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one
CID 89210533
6-[3-amino-1-(methylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 116948451
6-[1-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 14751625
6-(1-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 14751624
2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide
CID 59333208
1-(4-chlorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
CID 50797230
6-(1-hydroxy-3,3-dimethylbutyl)-3-propyl-1,3-benzoxazol-2-one
CID 62298658
6-(3-amino-1-hydroxypropyl)-2,2-dimethyl-4-propan-2-yl-1,4-benzoxazin-3-one
CID 82339764
6-(1-hydroxy-2-propylpentyl)-3-methyl-1,3-benzoxazol-2-one
CID 82987811

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1-hydroxypropyl)-3-propan-2-yl-1,3-benzoxazol-2-one?
The IUPAC name of 6-(3-amino-1-hydroxypropyl)-3-propan-2-yl-1,3-benzoxazol-2-one (CID 82341318) is 6-(3-amino-1-hydroxypropyl)-3-propan-2-yl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(3-amino-1-hydroxypropyl)-3-propan-2-yl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(3-amino-1-hydroxypropyl)-3-propan-2-yl-1,3-benzoxazol-2-one is CC(C)n1c(=O)oc2cc(C(O)CCN)ccc21.
What is the InChIKey of 6-(3-amino-1-hydroxypropyl)-3-propan-2-yl-1,3-benzoxazol-2-one?
The InChIKey is RFGPQKYRONKNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8(2)15-10-4-3-9(11(16)5-6-14)7-12(10)18-13(15)17/h3-4,7-8,11,16H,5-6,14H2,1-2H3.
What are the key properties of 6-(3-amino-1-hydroxypropyl)-3-propan-2-yl-1,3-benzoxazol-2-one?
6-(3-amino-1-hydroxypropyl)-3-propan-2-yl-1,3-benzoxazol-2-one has a molecular weight of 250.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-1-hydroxypropyl)-3-propan-2-yl-1,3-benzoxazol-2-one is sourced from PubChem (CID 82341318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).