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

C17H20N2O2 — CID 70709515

IUPAC5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCc3ccccc3C2)no1
InChIInChI=1S/C17H20N2O2/c1-11(2)16-10-15(19-21-16)17(20)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-6,10-11,14H,7-9H2,1-2H3,(H,18,20)
InChIKeySSXHRYRTIBALCY-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.09
Rot. Bonds3

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

5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 70709515) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID70709515
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCc3ccccc3C2)no1
InChIInChI=1S/C17H20N2O2/c1-11(2)16-10-15(19-21-16)17(20)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-6,10-11,14H,7-9H2,1-2H3,(H,18,20)
InChIKeySSXHRYRTIBALCY-UHFFFAOYSA-N
XLogP3.09
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide (CID 70709515) is 5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)NC2CCc3ccccc3C2)no1.
What is the InChIKey of 5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is SSXHRYRTIBALCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11(2)16-10-15(19-21-16)17(20)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-6,10-11,14H,7-9H2,1-2H3,(H,18,20).
What are the key properties of 5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide?
5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70709515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).