N-methyl-2-(methylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide

C13H17N3O3 — CID 115152122

IUPACN-methyl-2-(methylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
SMILESCNCC(=O)N(C)CCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O3/c1-14-8-12(17)16(2)6-5-9-3-4-11-10(7-9)15-13(18)19-11/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyFGJWXGQWLBBJMO-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.34
Rot. Bonds5

About N-methyl-2-(methylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide

N-methyl-2-(methylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide (PubChem CID 115152122) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-methyl-2-(methylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(methylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
PubChem CID115152122
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-methyl-2-(methylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
SMILESCNCC(=O)N(C)CCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O3/c1-14-8-12(17)16(2)6-5-9-3-4-11-10(7-9)15-13(18)19-11/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyFGJWXGQWLBBJMO-UHFFFAOYSA-N
XLogP0.34
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115153102
N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 110773977
N-methyl-2-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide
CID 115175819
N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 115152114
4-[methyl-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]amino]butanenitrile
CID 115232069
2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115158063
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide
CID 110390366
2-cyano-N-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]acetamide
CID 115173219
5-[2-(4-oxopentylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 115236711
N'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide
CID 116846784
2-ethyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
CID 110786713
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide?
The IUPAC name of N-methyl-2-(methylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide (CID 115152122) is N-methyl-2-(methylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-(methylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide?
The canonical SMILES for N-methyl-2-(methylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide is CNCC(=O)N(C)CCc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-methyl-2-(methylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide?
The InChIKey is FGJWXGQWLBBJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-14-8-12(17)16(2)6-5-9-3-4-11-10(7-9)15-13(18)19-11/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,18).
What are the key properties of N-methyl-2-(methylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide?
N-methyl-2-(methylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide has a molecular weight of 263.30 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 115152122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).