3-propan-2-yl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-5-carboxamide

C16H17N5O3 — CID 70715298

IUPAC3-propan-2-yl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC(C)c2nc(-c3cccnc3)no2)on1
InChIInChI=1S/C16H17N5O3/c1-9(2)12-7-13(23-20-12)15(22)18-10(3)16-19-14(21-24-16)11-5-4-6-17-8-11/h4-10H,1-3H3,(H,18,22)
InChIKeyBVVCUTBBKTVJNT-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.73
Rot. Bonds5

About 3-propan-2-yl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-5-carboxamide

3-propan-2-yl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 70715298) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-propan-2-yl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-propan-2-yl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID70715298
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name3-propan-2-yl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC(C)c2nc(-c3cccnc3)no2)on1
InChIInChI=1S/C16H17N5O3/c1-9(2)12-7-13(23-20-12)15(22)18-10(3)16-19-14(21-24-16)11-5-4-6-17-8-11/h4-10H,1-3H3,(H,18,22)
InChIKeyBVVCUTBBKTVJNT-UHFFFAOYSA-N
XLogP2.73
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-propan-2-yl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-5-carboxamide (CID 70715298) is 3-propan-2-yl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-propan-2-yl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-propan-2-yl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)NC(C)c2nc(-c3cccnc3)no2)on1.
What is the InChIKey of 3-propan-2-yl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is BVVCUTBBKTVJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-9(2)12-7-13(23-20-12)15(22)18-10(3)16-19-14(21-24-16)11-5-4-6-17-8-11/h4-10H,1-3H3,(H,18,22).
What are the key properties of 3-propan-2-yl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-5-carboxamide?
3-propan-2-yl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 70715298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).