N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide

C11H10N2O3 — CID 115166115

IUPACN-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide
SMILESCc1nc2cc(N(C)C(=O)C=O)ccc2o1
InChIInChI=1S/C11H10N2O3/c1-7-12-9-5-8(3-4-10(9)16-7)13(2)11(15)6-14/h3-6H,1-2H3
InChIKeyNRNBOBZGYBDRJO-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.30
Rot. Bonds2

About N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide

N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide (PubChem CID 115166115) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide
PubChem CID115166115
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC NameN-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide
SMILESCc1nc2cc(N(C)C(=O)C=O)ccc2o1
InChIInChI=1S/C11H10N2O3/c1-7-12-9-5-8(3-4-10(9)16-7)13(2)11(15)6-14/h3-6H,1-2H3
InChIKeyNRNBOBZGYBDRJO-UHFFFAOYSA-N
XLogP1.30
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 115152327
2-amino-3-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]-3-oxopropanoic acid
CID 115179238
2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]acetaldehyde
CID 115222828
1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-naphthalen-2-ylurea
CID 893610
2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]ethanethiol
CID 115223857
4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 115162920
1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylurea
CID 126146253
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 142429012
3-methyl-2-[[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]butan-1-ol
CID 115251983
2-methyl-1,3-benzoxazol-5-ol
CID 10888073
methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid
CID 115171032
N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide
CID 110387920

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide?
The IUPAC name of N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide (CID 115166115) is N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide.
What is the SMILES notation for N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide?
The canonical SMILES for N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide is Cc1nc2cc(N(C)C(=O)C=O)ccc2o1.
What is the InChIKey of N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide?
The InChIKey is NRNBOBZGYBDRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-7-12-9-5-8(3-4-10(9)16-7)13(2)11(15)6-14/h3-6H,1-2H3.
What are the key properties of N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide?
N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide has a molecular weight of 218.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide is sourced from PubChem (CID 115166115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).