3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide

C13H17N3O3 — CID 106111892

IUPAC3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide
SMILESCCc1nc2cc(NC(=O)C(CN)OC)ccc2o1
InChIInChI=1S/C13H17N3O3/c1-3-12-16-9-6-8(4-5-10(9)19-12)15-13(17)11(7-14)18-2/h4-6,11H,3,7,14H2,1-2H3,(H,15,17)
InChIKeyMBDKANDWQYEANW-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.30
Rot. Bonds5

About 3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide

3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide (PubChem CID 106111892) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide
PubChem CID106111892
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide
SMILESCCc1nc2cc(NC(=O)C(CN)OC)ccc2o1
InChIInChI=1S/C13H17N3O3/c1-3-12-16-9-6-8(4-5-10(9)19-12)15-13(17)11(7-14)18-2/h4-6,11H,3,7,14H2,1-2H3,(H,15,17)
InChIKeyMBDKANDWQYEANW-UHFFFAOYSA-N
XLogP1.30
TPSA90.38 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 ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 60944281
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)butanediamide;hydrochloride
CID 119956615
4-amino-5-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-5-oxopentanoic acid
CID 64888528
3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methylbutanamide;hydrochloride
CID 120502106
(2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride
CID 119339802
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride
CID 75526044
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119725949
2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide
CID 119815470
6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide
CID 60945929
7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide
CID 60946050
1-(aminomethyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119725962

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide (CID 106111892) is 3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide is CCc1nc2cc(NC(=O)C(CN)OC)ccc2o1.
What is the InChIKey of 3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide?
The InChIKey is MBDKANDWQYEANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-12-16-9-6-8(4-5-10(9)19-12)15-13(17)11(7-14)18-2/h4-6,11H,3,7,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide?
3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide has a molecular weight of 263.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide is sourced from PubChem (CID 106111892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).