5-hydroxy-5-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanoic acid

C12H13NO5 — CID 43322377

IUPAC5-hydroxy-5-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanoic acid
SMILESO=C(O)CCCC(O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C12H13NO5/c14-9(2-1-3-11(15)16)7-4-5-8-10(6-7)18-12(17)13-8/h4-6,9,14H,1-3H2,(H,13,17)(H,15,16)
InChIKeyFEEUGYWVDZWWLX-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.41
Rot. Bonds5

About 5-hydroxy-5-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanoic acid

5-hydroxy-5-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanoic acid (PubChem CID 43322377) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 5-hydroxy-5-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanoic acid.

Molecular Properties

Compound Name5-hydroxy-5-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanoic acid
PubChem CID43322377
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name5-hydroxy-5-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanoic acid
SMILESO=C(O)CCCC(O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C12H13NO5/c14-9(2-1-3-11(15)16)7-4-5-8-10(6-7)18-12(17)13-8/h4-6,9,14H,1-3H2,(H,13,17)(H,15,16)
InChIKeyFEEUGYWVDZWWLX-UHFFFAOYSA-N
XLogP1.41
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-hydroxydecyl)-3H-1,3-benzoxazol-2-one
CID 65426000
6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one
CID 61089511
3,4-dihydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoic acid
CID 171877904
3-amino-4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoic acid
CID 82348543
6-(3-cyclohexyl-1-hydroxypropyl)-3H-1,3-benzoxazol-2-one
CID 61089171
6-(1-hydroxy-2-oxobutyl)-3H-1,3-benzoxazol-2-one
CID 116835871
6-[2-(3,4-dichlorophenyl)-1-hydroxyethyl]-3H-1,3-benzoxazol-2-one
CID 63047192
6-(1-bromo-2-oxopropyl)-3H-1,3-benzoxazol-2-one
CID 116859829
5-(1-hydroxy-3-sulfanylpropyl)-3H-1,3-benzoxazol-2-one
CID 116831038
2-[[2-chloro-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]-methylamino]acetic acid
CID 82214972
6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid
CID 7573837
6-(1,2-diaminoethyl)-3H-1,3-benzoxazol-2-one
CID 116855514

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanoic acid?
The IUPAC name of 5-hydroxy-5-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanoic acid (CID 43322377) is 5-hydroxy-5-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanoic acid.
What is the SMILES notation for 5-hydroxy-5-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanoic acid?
The canonical SMILES for 5-hydroxy-5-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanoic acid is O=C(O)CCCC(O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 5-hydroxy-5-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanoic acid?
The InChIKey is FEEUGYWVDZWWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c14-9(2-1-3-11(15)16)7-4-5-8-10(6-7)18-12(17)13-8/h4-6,9,14H,1-3H2,(H,13,17)(H,15,16).
What are the key properties of 5-hydroxy-5-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanoic acid?
5-hydroxy-5-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanoic acid has a molecular weight of 251.24 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanoic acid is sourced from PubChem (CID 43322377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).