2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide

C10H11N3O3 — CID 116850801

IUPAC2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
SMILESCn1c(=O)oc2ccc(C(N)C(N)=O)cc21
InChIInChI=1S/C10H11N3O3/c1-13-6-4-5(8(11)9(12)14)2-3-7(6)16-10(13)15/h2-4,8H,11H2,1H3,(H2,12,14)
InChIKeySLLGHNXEQBQZAM-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.38
Rot. Bonds2

About 2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide

2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide (PubChem CID 116850801) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
PubChem CID116850801
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
SMILESCn1c(=O)oc2ccc(C(N)C(N)=O)cc21
InChIInChI=1S/C10H11N3O3/c1-13-6-4-5(8(11)9(12)14)2-3-7(6)16-10(13)15/h2-4,8H,11H2,1H3,(H2,12,14)
InChIKeySLLGHNXEQBQZAM-UHFFFAOYSA-N
XLogP-0.38
TPSA104.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[amino(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116939680
5-[amino(bromo)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116947662
3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 82491054
5-(1,2-diamino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932683
3-methyl-5-[1-(methylamino)-2-oxopropyl]-1,3-benzoxazol-2-one
CID 116955912
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanoic acid
CID 116964078
5-(1-amino-3-methylbutyl)-3-methyl-1,3-benzoxazol-2-one
CID 82496350
ethyl 2-(methylamino)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetate
CID 116961355
5-(2-amino-1-phenylethyl)-3-methyl-1,3-benzoxazol-2-one
CID 82501887
5-[2-hydroxy-1-(methylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 116859488
3,5-dimethyl-1,3-benzoxazol-2-one
CID 13117589
1-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]urea
CID 115168436

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide (CID 116850801) is 2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide is Cn1c(=O)oc2ccc(C(N)C(N)=O)cc21.
What is the InChIKey of 2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is SLLGHNXEQBQZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-13-6-4-5(8(11)9(12)14)2-3-7(6)16-10(13)15/h2-4,8H,11H2,1H3,(H2,12,14).
What are the key properties of 2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 221.22 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 116850801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).