5-propyl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide

C12H13N3O2 — CID 5307578

IUPAC5-propyl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2cccnc2)no1
InChIInChI=1S/C12H13N3O2/c1-2-4-10-7-11(15-17-10)12(16)14-9-5-3-6-13-8-9/h3,5-8H,2,4H2,1H3,(H,14,16)
InChIKeyUNAQFYKQUAUQNP-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.27
Rot. Bonds4

About 5-propyl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide

5-propyl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 5307578) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-propyl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-propyl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID5307578
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-propyl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2cccnc2)no1
InChIInChI=1S/C12H13N3O2/c1-2-4-10-7-11(15-17-10)12(16)14-9-5-3-6-13-8-9/h3,5-8H,2,4H2,1H3,(H,14,16)
InChIKeyUNAQFYKQUAUQNP-UHFFFAOYSA-N
XLogP2.27
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-propyl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 5307578) is 5-propyl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-propyl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-propyl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)Nc2cccnc2)no1.
What is the InChIKey of 5-propyl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is UNAQFYKQUAUQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-4-10-7-11(15-17-10)12(16)14-9-5-3-6-13-8-9/h3,5-8H,2,4H2,1H3,(H,14,16).
What are the key properties of 5-propyl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
5-propyl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5307578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).