2-ethyl-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1,3-oxazole-4-carboxamide

C12H15N3O3 — CID 154772048

IUPAC2-ethyl-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCCc1nc(C(=O)Nc2cnoc2C(C)C)co1
InChIInChI=1S/C12H15N3O3/c1-4-10-14-9(6-17-10)12(16)15-8-5-13-18-11(8)7(2)3/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyDSXFSRQQIKYPFO-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.60
Rot. Bonds4

About 2-ethyl-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1,3-oxazole-4-carboxamide

2-ethyl-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 154772048) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-ethyl-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID154772048
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-ethyl-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCCc1nc(C(=O)Nc2cnoc2C(C)C)co1
InChIInChI=1S/C12H15N3O3/c1-4-10-14-9(6-17-10)12(16)15-8-5-13-18-11(8)7(2)3/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyDSXFSRQQIKYPFO-UHFFFAOYSA-N
XLogP2.60
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-ethyl-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1,3-oxazole-4-carboxamide (CID 154772048) is 2-ethyl-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-ethyl-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1,3-oxazole-4-carboxamide is CCc1nc(C(=O)Nc2cnoc2C(C)C)co1.
What is the InChIKey of 2-ethyl-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is DSXFSRQQIKYPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-4-10-14-9(6-17-10)12(16)15-8-5-13-18-11(8)7(2)3/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-ethyl-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1,3-oxazole-4-carboxamide?
2-ethyl-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 154772048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).