3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide

C12H15N3O3 — CID 83547008

IUPAC3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
SMILESCNCCC(=O)Nc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C12H15N3O3/c1-13-6-5-11(16)14-8-3-4-10-9(7-8)15(2)12(17)18-10/h3-4,7,13H,5-6H2,1-2H3,(H,14,16)
InChIKeyYKOVMCKOSQIALQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.68
Rot. Bonds4

About 3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide

3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide (PubChem CID 83547008) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
PubChem CID83547008
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
SMILESCNCCC(=O)Nc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C12H15N3O3/c1-13-6-5-11(16)14-8-3-4-10-9(7-8)15(2)12(17)18-10/h3-4,7,13H,5-6H2,1-2H3,(H,14,16)
InChIKeyYKOVMCKOSQIALQ-UHFFFAOYSA-N
XLogP0.68
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110607968
3-methyl-5-[3-(methylamino)propanoyl]-1,3-benzoxazol-2-one
CID 82496255
N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119869141
3-methyl-5-(3-oxobutylamino)-1,3-benzoxazol-2-one
CID 115235442
5-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-methyl-1,3-benzoxazol-2-one
CID 115133179
2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 115190137
1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-propan-2-ylurea
CID 23505699
2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110662027
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110608029
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110608005
2-amino-3-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-3-oxopropanoic acid
CID 115179138
2-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-3-oxopropanoic acid
CID 115164147

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide (CID 83547008) is 3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide is CNCCC(=O)Nc1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of 3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is YKOVMCKOSQIALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-13-6-5-11(16)14-8-3-4-10-9(7-8)15(2)12(17)18-10/h3-4,7,13H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide?
3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 249.27 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 83547008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).