2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]amino]acetamide

C11H13N3O3 — CID 115260032

IUPAC2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]amino]acetamide
SMILESCN(CC(N)=O)Cc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C11H13N3O3/c1-14(6-10(12)15)5-7-2-3-8-9(4-7)17-11(16)13-8/h2-4H,5-6H2,1H3,(H2,12,15)(H,13,16)
InChIKeyUJDSNDMHSIXVRJ-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.04
Rot. Bonds4

About 2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]amino]acetamide

2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]amino]acetamide (PubChem CID 115260032) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]amino]acetamide
PubChem CID115260032
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]amino]acetamide
SMILESCN(CC(N)=O)Cc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C11H13N3O3/c1-14(6-10(12)15)5-7-2-3-8-9(4-7)17-11(16)13-8/h2-4H,5-6H2,1H3,(H2,12,15)(H,13,16)
InChIKeyUJDSNDMHSIXVRJ-UHFFFAOYSA-N
XLogP0.04
TPSA92.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[methyl(3-oxobutyl)amino]methyl]-3H-1,3-benzoxazol-2-one
CID 115235843
6-[[2-aminopropyl(methyl)amino]methyl]-3H-1,3-benzoxazol-2-one
CID 115196705
6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-3H-1,3-benzoxazol-2-one
CID 115122241
1,3-dimethyl-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]urea
CID 115169282
2-hydroxy-N-methyl-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]propanamide
CID 115140837
6-[[methyl-[4-(methylamino)butyl]amino]methyl]-3H-1,3-benzoxazol-2-one
CID 115202062
6-[2-[2-hydroxyethyl(methyl)amino]ethyl]-3H-1,3-benzoxazol-2-one
CID 115216444
4-[methyl-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]amino]-3-oxobutanenitrile
CID 117038503
6-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-3H-1,3-benzoxazol-2-one
CID 115208343
6-(aminomethyl)-3H-1,3-benzoxazol-2-one;hydrochloride
CID 122164517
2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide
CID 115260031
2-[methyl-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]amino]acetonitrile
CID 115131416

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]amino]acetamide?
The IUPAC name of 2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]amino]acetamide (CID 115260032) is 2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]amino]acetamide?
The canonical SMILES for 2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]amino]acetamide is CN(CC(N)=O)Cc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]amino]acetamide?
The InChIKey is UJDSNDMHSIXVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-14(6-10(12)15)5-7-2-3-8-9(4-7)17-11(16)13-8/h2-4H,5-6H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of 2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]amino]acetamide?
2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]amino]acetamide has a molecular weight of 235.24 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]amino]acetamide is sourced from PubChem (CID 115260032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).