3,5-dimethyl-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,2-oxazole-4-carboxamide

C15H15N3O4 — CID 95802914

IUPAC3,5-dimethyl-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCn1c(=O)oc2ccccc21
InChIInChI=1S/C15H15N3O4/c1-9-13(10(2)22-17-9)14(19)16-7-8-18-11-5-3-4-6-12(11)21-15(18)20/h3-6H,7-8H2,1-2H3,(H,16,19)
InChIKeyYBHZMFBTFIWUHA-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.63
Rot. Bonds4

About 3,5-dimethyl-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 95802914) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID95802914
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name3,5-dimethyl-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCn1c(=O)oc2ccccc21
InChIInChI=1S/C15H15N3O4/c1-9-13(10(2)22-17-9)14(19)16-7-8-18-11-5-3-4-6-12(11)21-15(18)20/h3-6H,7-8H2,1-2H3,(H,16,19)
InChIKeyYBHZMFBTFIWUHA-UHFFFAOYSA-N
XLogP1.63
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,2-oxazole-4-carboxamide (CID 95802914) is 3,5-dimethyl-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCCn1c(=O)oc2ccccc21.
What is the InChIKey of 3,5-dimethyl-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is YBHZMFBTFIWUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-9-13(10(2)22-17-9)14(19)16-7-8-18-11-5-3-4-6-12(11)21-15(18)20/h3-6H,7-8H2,1-2H3,(H,16,19).
What are the key properties of 3,5-dimethyl-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 301.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 95802914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).