3-propyl-1,2-oxazole-5-carboxamide

C7H10N2O2 — CID 45117964

IUPAC3-propyl-1,2-oxazole-5-carboxamide
SMILESCCCc1cc(C(N)=O)on1
InChIInChI=1S/C7H10N2O2/c1-2-3-5-4-6(7(8)10)11-9-5/h4H,2-3H2,1H3,(H2,8,10)
InChIKeyNHQGBNSGTAYIRX-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.73
Rot. Bonds3

About 3-propyl-1,2-oxazole-5-carboxamide

3-propyl-1,2-oxazole-5-carboxamide (PubChem CID 45117964) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-propyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-propyl-1,2-oxazole-5-carboxamide
PubChem CID45117964
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-propyl-1,2-oxazole-5-carboxamide
SMILESCCCc1cc(C(N)=O)on1
InChIInChI=1S/C7H10N2O2/c1-2-3-5-4-6(7(8)10)11-9-5/h4H,2-3H2,1H3,(H2,8,10)
InChIKeyNHQGBNSGTAYIRX-UHFFFAOYSA-N
XLogP0.73
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-propyl-1,2-oxazole-5-carboxamide (CID 45117964) is 3-propyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-propyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-propyl-1,2-oxazole-5-carboxamide is CCCc1cc(C(N)=O)on1.
What is the InChIKey of 3-propyl-1,2-oxazole-5-carboxamide?
The InChIKey is NHQGBNSGTAYIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-3-5-4-6(7(8)10)11-9-5/h4H,2-3H2,1H3,(H2,8,10).
What are the key properties of 3-propyl-1,2-oxazole-5-carboxamide?
3-propyl-1,2-oxazole-5-carboxamide has a molecular weight of 154.17 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 45117964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).