6-[2,3-dihydroxypropyl(methyl)amino]-3H-1,3-benzoxazol-2-one

C11H14N2O4 — CID 115122051

IUPAC6-[2,3-dihydroxypropyl(methyl)amino]-3H-1,3-benzoxazol-2-one
SMILESCN(CC(O)CO)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C11H14N2O4/c1-13(5-8(15)6-14)7-2-3-9-10(4-7)17-11(16)12-9/h2-4,8,14-15H,5-6H2,1H3,(H,12,16)
InChIKeySRBYJQIYVGSNND-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.09
Rot. Bonds4

About 6-[2,3-dihydroxypropyl(methyl)amino]-3H-1,3-benzoxazol-2-one

6-[2,3-dihydroxypropyl(methyl)amino]-3H-1,3-benzoxazol-2-one (PubChem CID 115122051) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 6-[2,3-dihydroxypropyl(methyl)amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[2,3-dihydroxypropyl(methyl)amino]-3H-1,3-benzoxazol-2-one
PubChem CID115122051
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name6-[2,3-dihydroxypropyl(methyl)amino]-3H-1,3-benzoxazol-2-one
SMILESCN(CC(O)CO)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C11H14N2O4/c1-13(5-8(15)6-14)7-2-3-9-10(4-7)17-11(16)12-9/h2-4,8,14-15H,5-6H2,1H3,(H,12,16)
InChIKeySRBYJQIYVGSNND-UHFFFAOYSA-N
XLogP-0.09
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-[methyl-(2-oxo-3H-1,3-benzoxazol-6-yl)amino]propanoic acid
CID 115240611
6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-3H-1,3-benzoxazol-2-one
CID 115122241
6-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-3H-1,3-benzoxazol-2-one
CID 115135265
6-[methyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 117043939
5-[2-aminopropyl(methyl)amino]-3H-1,3-benzoxazol-2-one
CID 115196445
methyl-(2-oxo-3H-1,3-benzoxazol-6-yl)carbamothioic S-acid
CID 115169877
3-[methyl-(2-oxo-3H-1,3-benzoxazol-6-yl)amino]butanoic acid
CID 117042149
6-[(4-hydroxycyclohexyl)-methylamino]-3H-1,3-benzoxazol-2-one
CID 115149457
5-[2,3-diaminopropyl(methyl)amino]-3H-1,3-benzoxazol-2-one
CID 115119595
6-[2-(cyclopropylamino)ethyl-methylamino]-3H-1,3-benzoxazol-2-one
CID 115206901
6-[methyl(3-phenylpropyl)amino]-3H-1,3-benzoxazol-2-one;hydrochloride
CID 14500459
6-[1-chloro-2-[2-hydroxyethyl(methyl)amino]ethyl]-3H-1,3-benzoxazol-2-one
CID 82214973

Frequently Asked Questions

What is the IUPAC name of 6-[2,3-dihydroxypropyl(methyl)amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[2,3-dihydroxypropyl(methyl)amino]-3H-1,3-benzoxazol-2-one (CID 115122051) is 6-[2,3-dihydroxypropyl(methyl)amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[2,3-dihydroxypropyl(methyl)amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[2,3-dihydroxypropyl(methyl)amino]-3H-1,3-benzoxazol-2-one is CN(CC(O)CO)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-[2,3-dihydroxypropyl(methyl)amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is SRBYJQIYVGSNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-13(5-8(15)6-14)7-2-3-9-10(4-7)17-11(16)12-9/h2-4,8,14-15H,5-6H2,1H3,(H,12,16).
What are the key properties of 6-[2,3-dihydroxypropyl(methyl)amino]-3H-1,3-benzoxazol-2-one?
6-[2,3-dihydroxypropyl(methyl)amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 238.24 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,3-dihydroxypropyl(methyl)amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115122051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).