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

C13H17N3O3 — CID 119312613

IUPAC2-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide
SMILESCCCC(N)C(=O)Nc1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C13H17N3O3/c1-3-4-9(14)12(17)15-8-5-6-10-11(7-8)19-13(18)16(10)2/h5-7,9H,3-4,14H2,1-2H3,(H,15,17)
InChIKeyBZSAJEZLJRNTRO-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.20
Rot. Bonds4

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

2-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide (PubChem CID 119312613) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide
PubChem CID119312613
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide
SMILESCCCC(N)C(=O)Nc1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C13H17N3O3/c1-3-4-9(14)12(17)15-8-5-6-10-11(7-8)19-13(18)16(10)2/h5-7,9H,3-4,14H2,1-2H3,(H,15,17)
InChIKeyBZSAJEZLJRNTRO-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-3-oxopropanoic acid
CID 115179138
4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide
CID 115156250
6-(2,3-diaminopropylamino)-3-methyl-1,3-benzoxazol-2-one
CID 115119444
2-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-3-oxopropanoic acid
CID 115164147
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)acetamide
CID 110662181
2-amino-N-(1-propylindol-6-yl)pentanamide;hydrochloride
CID 119331199
2-amino-N-(2H-benzotriazol-5-yl)pentanamide;hydrochloride
CID 119280138
(2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide
CID 94728896
2-amino-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)pentanamide;hydrochloride
CID 119768168
2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride
CID 119322353
2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 115190137

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide?
The IUPAC name of 2-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide (CID 119312613) is 2-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide.
What is the SMILES notation for 2-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide?
The canonical SMILES for 2-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide is CCCC(N)C(=O)Nc1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of 2-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide?
The InChIKey is BZSAJEZLJRNTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-4-9(14)12(17)15-8-5-6-10-11(7-8)19-13(18)16(10)2/h5-7,9H,3-4,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide?
2-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide has a molecular weight of 263.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide is sourced from PubChem (CID 119312613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).