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

C13H17N3O3 — CID 82344653

IUPACN-(2-aminoethyl)-3-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1ccc2c(c1)oc(=O)n2CCC(=O)NCCN
InChIInChI=1S/C13H17N3O3/c1-9-2-3-10-11(8-9)19-13(18)16(10)7-4-12(17)15-6-5-14/h2-3,8H,4-7,14H2,1H3,(H,15,17)
InChIKeyCMZUMGJXRFTKAQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.37
Rot. Bonds5

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

N-(2-aminoethyl)-3-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 82344653) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID82344653
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(2-aminoethyl)-3-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1ccc2c(c1)oc(=O)n2CCC(=O)NCCN
InChIInChI=1S/C13H17N3O3/c1-9-2-3-10-11(8-9)19-13(18)16(10)7-4-12(17)15-6-5-14/h2-3,8H,4-7,14H2,1H3,(H,15,17)
InChIKeyCMZUMGJXRFTKAQ-UHFFFAOYSA-N
XLogP0.37
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344583
3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one
CID 54013052
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 9425254
3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one
CID 82344647
sodium 8-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)octanoate
CID 70523195
methyl (2S)-2-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-3-hydroxypropanoate
CID 9278128
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide
CID 30707470
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
CID 9154506
ethyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 121014059
[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8646040
[4-[[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]methyl-diethylazanium
CID 8948610
N-[3-(methylamino)propyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide;hydrochloride
CID 119430855

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 82344653) is N-(2-aminoethyl)-3-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide is Cc1ccc2c(c1)oc(=O)n2CCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-3-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is CMZUMGJXRFTKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-2-3-10-11(8-9)19-13(18)16(10)7-4-12(17)15-6-5-14/h2-3,8H,4-7,14H2,1H3,(H,15,17).
What are the key properties of N-(2-aminoethyl)-3-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(2-aminoethyl)-3-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 263.30 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 82344653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).