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

C12H15N3O3 — CID 82344583

IUPACN-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESNCCNC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C12H15N3O3/c13-6-7-14-11(16)5-8-15-9-3-1-2-4-10(9)18-12(15)17/h1-4H,5-8,13H2,(H,14,16)
InChIKeyKPDMRHPDOMQJLL-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.06
Rot. Bonds5

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

N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 82344583) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID82344583
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESNCCNC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C12H15N3O3/c13-6-7-14-11(16)5-8-15-9-3-1-2-4-10(9)18-12(15)17/h1-4H,5-8,13H2,(H,14,16)
InChIKeyKPDMRHPDOMQJLL-UHFFFAOYSA-N
XLogP0.06
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-3-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344653
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide
CID 27844689
N-(2-morpholin-4-ium-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3622363
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 27990436
N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 120828743
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 111429592
N-[(4-cyanophenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 52571612
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 53499763
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3830051
propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate
CID 18204942
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 82344583) is N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is NCCNC(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is KPDMRHPDOMQJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-6-7-14-11(16)5-8-15-9-3-1-2-4-10(9)18-12(15)17/h1-4H,5-8,13H2,(H,14,16).
What are the key properties of N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 249.27 g/mol, XLogP of 0.06, 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-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 82344583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).