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

C12H13N3O2 — CID 3236077

IUPAC5-propan-2-yl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccnc2)no1
InChIInChI=1S/C12H13N3O2/c1-8(2)11-6-10(15-17-11)12(16)14-9-4-3-5-13-7-9/h3-8H,1-2H3,(H,14,16)
InChIKeyZFKXPAHOUDWGBM-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.45
Rot. Bonds3

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

5-propan-2-yl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 3236077) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-propan-2-yl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID3236077
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-propan-2-yl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccnc2)no1
InChIInChI=1S/C12H13N3O2/c1-8(2)11-6-10(15-17-11)12(16)14-9-4-3-5-13-7-9/h3-8H,1-2H3,(H,14,16)
InChIKeyZFKXPAHOUDWGBM-UHFFFAOYSA-N
XLogP2.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 3236077) is 5-propan-2-yl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)Nc2cccnc2)no1.
What is the InChIKey of 5-propan-2-yl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is ZFKXPAHOUDWGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8(2)11-6-10(15-17-11)12(16)14-9-4-3-5-13-7-9/h3-8H,1-2H3,(H,14,16).
What are the key properties of 5-propan-2-yl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
5-propan-2-yl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3236077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).