4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide

C13H17N3O3 — CID 115156250

IUPAC4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide
SMILESCC(CN)CC(=O)Nc1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C13H17N3O3/c1-8(7-14)5-12(17)15-9-3-4-10-11(6-9)19-13(18)16(10)2/h3-4,6,8H,5,7,14H2,1-2H3,(H,15,17)
InChIKeyCPPFUDZYIPNPCS-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.05
Rot. Bonds4

About 4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide

4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide (PubChem CID 115156250) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide
PubChem CID115156250
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide
SMILESCC(CN)CC(=O)Nc1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C13H17N3O3/c1-8(7-14)5-12(17)15-9-3-4-10-11(6-9)19-13(18)16(10)2/h3-4,6,8H,5,7,14H2,1-2H3,(H,15,17)
InChIKeyCPPFUDZYIPNPCS-UHFFFAOYSA-N
XLogP1.05
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-hydroxycyclopentyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 111430879
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)acetamide
CID 110662181
6-(2,3-diaminopropylamino)-3-methyl-1,3-benzoxazol-2-one
CID 115119444
6-[(1-amino-3-methylbutan-2-yl)amino]-3-methyl-1,3-benzoxazol-2-one
CID 115137950
2-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide
CID 119312613
6-[(4-amino-2-methylbutyl)amino]-3-methyl-1,3-benzoxazol-2-one
CID 115202361
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide
CID 81075529
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 110608265
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide
CID 110412208
4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 81075823
4-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-phenylpentanamide
CID 110608238
5-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide
CID 110616444

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide?
The IUPAC name of 4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide (CID 115156250) is 4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide?
The canonical SMILES for 4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide is CC(CN)CC(=O)Nc1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of 4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide?
The InChIKey is CPPFUDZYIPNPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8(7-14)5-12(17)15-9-3-4-10-11(6-9)19-13(18)16(10)2/h3-4,6,8H,5,7,14H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide?
4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide has a molecular weight of 263.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide is sourced from PubChem (CID 115156250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).