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

C13H17N3O3 — CID 115153102

IUPAC3-amino-N-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
SMILESCN(CCc1ccc2oc(=O)[nH]c2c1)C(=O)CCN
InChIInChI=1S/C13H17N3O3/c1-16(12(17)4-6-14)7-5-9-2-3-11-10(8-9)15-13(18)19-11/h2-3,8H,4-7,14H2,1H3,(H,15,18)
InChIKeyRTWVVZYHZSSEPM-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.47
Rot. Bonds5

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

3-amino-N-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide (PubChem CID 115153102) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
PubChem CID115153102
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-amino-N-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
SMILESCN(CCc1ccc2oc(=O)[nH]c2c1)C(=O)CCN
InChIInChI=1S/C13H17N3O3/c1-16(12(17)4-6-14)7-5-9-2-3-11-10(8-9)15-13(18)19-11/h2-3,8H,4-7,14H2,1H3,(H,15,18)
InChIKeyRTWVVZYHZSSEPM-UHFFFAOYSA-N
XLogP0.47
TPSA92.33 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 ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(methylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115152122
N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 110773977
3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 115153098
4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide
CID 115155445
N-methyl-2-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide
CID 115175819
3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119297962
4-[methyl-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]amino]butanenitrile
CID 115232069
2-cyano-N-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]acetamide
CID 115173219
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide
CID 110390366
5-[2-[(4-amino-2-methylbutan-2-yl)amino]ethyl]-3H-1,3-benzoxazol-2-one
CID 115134962
4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide
CID 115155498
5-[2-(4-oxopentylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 115236711

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-amino-N-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide (CID 115153102) is 3-amino-N-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide is CN(CCc1ccc2oc(=O)[nH]c2c1)C(=O)CCN.
What is the InChIKey of 3-amino-N-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide?
The InChIKey is RTWVVZYHZSSEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-16(12(17)4-6-14)7-5-9-2-3-11-10(8-9)15-13(18)19-11/h2-3,8H,4-7,14H2,1H3,(H,15,18).
What are the key properties of 3-amino-N-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide?
3-amino-N-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide has a molecular weight of 263.30 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 115153102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).