2-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-methylpropyl)amino]acetamide

C14H20N4O2 — CID 79996065

IUPAC2-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1nc2c(N)cccc2o1
InChIInChI=1S/C14H20N4O2/c1-9(2)6-18(7-12(16)19)8-13-17-14-10(15)4-3-5-11(14)20-13/h3-5,9H,6-8,15H2,1-2H3,(H2,16,19)
InChIKeyZVQXGWVVMYJPAJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.35
Rot. Bonds6

About 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-methylpropyl)amino]acetamide

2-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-methylpropyl)amino]acetamide (PubChem CID 79996065) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-methylpropyl)amino]acetamide
PubChem CID79996065
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1nc2c(N)cccc2o1
InChIInChI=1S/C14H20N4O2/c1-9(2)6-18(7-12(16)19)8-13-17-14-10(15)4-3-5-11(14)20-13/h3-5,9H,6-8,15H2,1-2H3,(H2,16,19)
InChIKeyZVQXGWVVMYJPAJ-UHFFFAOYSA-N
XLogP1.35
TPSA98.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

L 696229
CID 72352
L 696040
CID 131887
2(1H)-Pyridinone, 5-ethyl-3-(((4-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
CID 454408
2(1H)-Pyridinone, 5-ethyl-3-(((7-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
CID 454411
3-(1,3-benzoxazol-2-ylmethylamino)-6-methyl-5-methylsulfanyl-1H-pyridin-2-one
CID 454432
3-(1,3-benzoxazol-2-ylmethylamino)-5-ethyl-4,6-dimethyl-1H-pyridin-2-one
CID 454434
2(1H)-Pyridinone, 5-ethyl-3-(((5-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
CID 454409
3-[2-(Benzoxazol-2-yl)ethyl]-5-isopropyl-6-methylpyridin-2(1H)-one
CID 454831
(S)-N1-(1-(benzo[d]oxazol-2-yl)-1-oxopropan-2-yl)-2-((S)-2-(3,3-dimethylbutanamido)-3,3-dimethylbutanamido)-N4,N4-dimethylsuccinamide
CID 10506703
2-(4-Aminophenyl)-1,3-benzoxazol-6-amine
CID 542899
N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 2824070
Ac-Ala-Pro-Val-(2-benzoxazole)
CID 44454029

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-methylpropyl)amino]acetamide (CID 79996065) is 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)Cc1nc2c(N)cccc2o1.
What is the InChIKey of 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-methylpropyl)amino]acetamide?
The InChIKey is ZVQXGWVVMYJPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(2)6-18(7-12(16)19)8-13-17-14-10(15)4-3-5-11(14)20-13/h3-5,9H,6-8,15H2,1-2H3,(H2,16,19).
What are the key properties of 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-methylpropyl)amino]acetamide?
2-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-methylpropyl)amino]acetamide has a molecular weight of 276.34 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 79996065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).