N-(1,3-benzoxazol-6-ylmethyl)-N-methyl-3-(methylamino)propanamide

C13H17N3O2 — CID 115153296

IUPACN-(1,3-benzoxazol-6-ylmethyl)-N-methyl-3-(methylamino)propanamide
SMILESCNCCC(=O)N(C)Cc1ccc2ncoc2c1
InChIInChI=1S/C13H17N3O2/c1-14-6-5-13(17)16(2)8-10-3-4-11-12(7-10)18-9-15-11/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyYZLWRQYFRFNVHU-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.40
Rot. Bonds5

About N-(1,3-benzoxazol-6-ylmethyl)-N-methyl-3-(methylamino)propanamide

N-(1,3-benzoxazol-6-ylmethyl)-N-methyl-3-(methylamino)propanamide (PubChem CID 115153296) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-ylmethyl)-N-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-ylmethyl)-N-methyl-3-(methylamino)propanamide
PubChem CID115153296
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(1,3-benzoxazol-6-ylmethyl)-N-methyl-3-(methylamino)propanamide
SMILESCNCCC(=O)N(C)Cc1ccc2ncoc2c1
InChIInChI=1S/C13H17N3O2/c1-14-6-5-13(17)16(2)8-10-3-4-11-12(7-10)18-9-15-11/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyYZLWRQYFRFNVHU-UHFFFAOYSA-N
XLogP1.40
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea
CID 115169274
3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide
CID 115154699
3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N-methylbutanamide
CID 115154285
methyl 2-[1,3-benzoxazol-6-ylmethyl(methyl)amino]-2-oxoacetate
CID 115142491
N-methyl-3-(methylamino)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propanamide
CID 115153302
N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 115152114
5-[1,3-benzoxazol-6-ylmethyl(methyl)amino]pentan-2-one
CID 115236616
3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide
CID 116845001
1-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389
2-[1,3-benzoxazol-6-ylmethyl(methyl)amino]cyclopropane-1-carboxylic acid
CID 117042722
1-N-(1,3-benzoxazol-6-ylmethyl)-1-N-methylbutane-1,3-diamine
CID 115199442
N-methyl-3-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]propanamide
CID 115153275

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-ylmethyl)-N-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(1,3-benzoxazol-6-ylmethyl)-N-methyl-3-(methylamino)propanamide (CID 115153296) is N-(1,3-benzoxazol-6-ylmethyl)-N-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-ylmethyl)-N-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(1,3-benzoxazol-6-ylmethyl)-N-methyl-3-(methylamino)propanamide is CNCCC(=O)N(C)Cc1ccc2ncoc2c1.
What is the InChIKey of N-(1,3-benzoxazol-6-ylmethyl)-N-methyl-3-(methylamino)propanamide?
The InChIKey is YZLWRQYFRFNVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-14-6-5-13(17)16(2)8-10-3-4-11-12(7-10)18-9-15-11/h3-4,7,9,14H,5-6,8H2,1-2H3.
What are the key properties of N-(1,3-benzoxazol-6-ylmethyl)-N-methyl-3-(methylamino)propanamide?
N-(1,3-benzoxazol-6-ylmethyl)-N-methyl-3-(methylamino)propanamide has a molecular weight of 247.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-ylmethyl)-N-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 115153296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).