5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid

C13H14N2O4 — CID 115163815

IUPAC5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid
SMILESCc1nc2ccc(NC(=O)CCCC(=O)O)cc2o1
InChIInChI=1S/C13H14N2O4/c1-8-14-10-6-5-9(7-11(10)19-8)15-12(16)3-2-4-13(17)18/h5-7H,2-4H2,1H3,(H,15,16)(H,17,18)
InChIKeyYPPZBMXVOYWHOX-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.33
Rot. Bonds5

About 5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid

5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid (PubChem CID 115163815) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid
PubChem CID115163815
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid
SMILESCc1nc2ccc(NC(=O)CCCC(=O)O)cc2o1
InChIInChI=1S/C13H14N2O4/c1-8-14-10-6-5-9(7-11(10)19-8)15-12(16)3-2-4-13(17)18/h5-7H,2-4H2,1H3,(H,15,16)(H,17,18)
InChIKeyYPPZBMXVOYWHOX-UHFFFAOYSA-N
XLogP2.33
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide
CID 110729007
3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924240
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide
CID 86921843
2,2-dimethyl-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115163948
4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 86921824
4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 115157214
N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 110729012
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
6-(2-methyl-1,3-benzoxazol-6-yl)hexanoic acid
CID 98784268
4-[(2-methyl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115218475
2-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974727

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid (CID 115163815) is 5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid is Cc1nc2ccc(NC(=O)CCCC(=O)O)cc2o1.
What is the InChIKey of 5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid?
The InChIKey is YPPZBMXVOYWHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8-14-10-6-5-9(7-11(10)19-8)15-12(16)3-2-4-13(17)18/h5-7H,2-4H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid?
5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid has a molecular weight of 262.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 115163815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).