3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide

C9H8N2O3 — CID 82491054

IUPAC3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCn1c(=O)oc2ccc(C(N)=O)cc21
InChIInChI=1S/C9H8N2O3/c1-11-6-4-5(8(10)12)2-3-7(6)14-9(11)13/h2-4H,1H3,(H2,10,12)
InChIKeyXXVHFHPNZZLNKN-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.23
Rot. Bonds1

About 3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide

3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide (PubChem CID 82491054) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
PubChem CID82491054
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCn1c(=O)oc2ccc(C(N)=O)cc21
InChIInChI=1S/C9H8N2O3/c1-11-6-4-5(8(10)12)2-3-7(6)14-9(11)13/h2-4H,1H3,(H2,10,12)
InChIKeyXXVHFHPNZZLNKN-UHFFFAOYSA-N
XLogP0.23
TPSA78.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683308
N',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide
CID 116846930
3-methyl-5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-one
CID 110683258
5-(3-chloropropanoyl)-3-methyl-1,3-benzoxazol-2-one
CID 116917882
3-methyl-5-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one
CID 82493952
2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 116850801
5-[2-(aminomethyl)-3-methylbutanoyl]-3-methyl-1,3-benzoxazol-2-one
CID 116923446
3-methyl-5-[3-(methylamino)propanoyl]-1,3-benzoxazol-2-one
CID 82496255
5-[amino(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116939680
N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067173
3,5-dimethyl-1,3-benzoxazol-2-one
CID 13117589
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683274

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide (CID 82491054) is 3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide is Cn1c(=O)oc2ccc(C(N)=O)cc21.
What is the InChIKey of 3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The InChIKey is XXVHFHPNZZLNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-11-6-4-5(8(10)12)2-3-7(6)14-9(11)13/h2-4H,1H3,(H2,10,12).
What are the key properties of 3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide has a molecular weight of 192.17 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 82491054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).