3-hydroxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide

C12H14N2O4 — CID 115138921

IUPAC3-hydroxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide
SMILESCN(C(=O)CCO)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C12H14N2O4/c1-13(11(16)5-6-15)8-3-4-9-10(7-8)18-12(17)14(9)2/h3-4,7,15H,5-6H2,1-2H3
InChIKeyBBHKRVODGRZKLK-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.48
Rot. Bonds3

About 3-hydroxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide

3-hydroxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide (PubChem CID 115138921) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide
PubChem CID115138921
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name3-hydroxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide
SMILESCN(C(=O)CCO)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C12H14N2O4/c1-13(11(16)5-6-15)8-3-4-9-10(7-8)18-12(17)14(9)2/h3-4,7,15H,5-6H2,1-2H3
InChIKeyBBHKRVODGRZKLK-UHFFFAOYSA-N
XLogP0.48
TPSA75.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide
CID 115155233
methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamic acid
CID 115170784
methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamothioic S-acid
CID 115169878
2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 115161945
6-[methoxymethyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one
CID 115258422
2-[methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]cyclopropane-1-carboxylic acid
CID 117042610
6-[3-aminobutyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one
CID 115199203
1-cyano-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)formamide
CID 115172068
N-methyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]carbamoyl bromide
CID 115193810
3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide
CID 116843326
3-chloro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]propanamide
CID 115162532
ethyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxoacetate
CID 55054066

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide?
The IUPAC name of 3-hydroxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide (CID 115138921) is 3-hydroxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide is CN(C(=O)CCO)c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of 3-hydroxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide?
The InChIKey is BBHKRVODGRZKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-13(11(16)5-6-15)8-3-4-9-10(7-8)18-12(17)14(9)2/h3-4,7,15H,5-6H2,1-2H3.
What are the key properties of 3-hydroxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide?
3-hydroxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide has a molecular weight of 250.25 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide is sourced from PubChem (CID 115138921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).