2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide

C12H14N2O4 — CID 115140966

IUPAC2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
SMILESCC(O)C(=O)NCCc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C12H14N2O4/c1-7(15)11(16)13-5-4-8-2-3-9-10(6-8)18-12(17)14-9/h2-3,6-7,15H,4-5H2,1H3,(H,13,16)(H,14,17)
InChIKeyMUKWFXWEQUTRGI-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.16
Rot. Bonds4

About 2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide

2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide (PubChem CID 115140966) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
PubChem CID115140966
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
SMILESCC(O)C(=O)NCCc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C12H14N2O4/c1-7(15)11(16)13-5-4-8-2-3-9-10(6-8)18-12(17)14-9/h2-3,6-7,15H,4-5H2,1H3,(H,13,16)(H,14,17)
InChIKeyMUKWFXWEQUTRGI-UHFFFAOYSA-N
XLogP0.16
TPSA95.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110792023
6-(3-aminobutyl)-3H-1,3-benzoxazol-2-one
CID 82492156
2-methyl-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]propanoic acid
CID 115128107
2-hydroxy-N-methyl-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]propanamide
CID 115140837
3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide
CID 110786464
2-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide
CID 110792059
6-[2-[(3-amino-2-methylpropyl)amino]ethyl]-3H-1,3-benzoxazol-2-one
CID 115198782
6-[2-(hydrazinylmethylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 115261171
[3-(2-oxo-3H-1,3-benzoxazol-6-yl)propylamino] acetate
CID 20613951
N-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide
CID 110796279
1-methyl-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]urea
CID 115169173
6-[2-(2-aminoethylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 115195471

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide?
The IUPAC name of 2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide (CID 115140966) is 2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide.
What is the SMILES notation for 2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide?
The canonical SMILES for 2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide is CC(O)C(=O)NCCc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide?
The InChIKey is MUKWFXWEQUTRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-7(15)11(16)13-5-4-8-2-3-9-10(6-8)18-12(17)14-9/h2-3,6-7,15H,4-5H2,1H3,(H,13,16)(H,14,17).
What are the key properties of 2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide?
2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide has a molecular weight of 250.25 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide is sourced from PubChem (CID 115140966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).