N-(5-tert-butyl-1,2-oxazol-3-yl)-3-propan-2-yloxybenzamide

C17H22N2O3 — CID 25236533

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2cc(C(C)(C)C)on2)c1
InChIInChI=1S/C17H22N2O3/c1-11(2)21-13-8-6-7-12(9-13)16(20)18-15-10-14(22-19-15)17(3,4)5/h6-11H,1-5H3,(H,18,19,20)
InChIKeyBXKKITZBBJCNPQ-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.01
Rot. Bonds4

About N-(5-tert-butyl-1,2-oxazol-3-yl)-3-propan-2-yloxybenzamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-3-propan-2-yloxybenzamide (PubChem CID 25236533) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-propan-2-yloxybenzamide
PubChem CID25236533
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2cc(C(C)(C)C)on2)c1
InChIInChI=1S/C17H22N2O3/c1-11(2)21-13-8-6-7-12(9-13)16(20)18-15-10-14(22-19-15)17(3,4)5/h6-11H,1-5H3,(H,18,19,20)
InChIKeyBXKKITZBBJCNPQ-UHFFFAOYSA-N
XLogP4.01
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-propan-2-yloxybenzamide (CID 25236533) is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)Nc2cc(C(C)(C)C)on2)c1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-propan-2-yloxybenzamide?
The InChIKey is BXKKITZBBJCNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11(2)21-13-8-6-7-12(9-13)16(20)18-15-10-14(22-19-15)17(3,4)5/h6-11H,1-5H3,(H,18,19,20).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-propan-2-yloxybenzamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-propan-2-yloxybenzamide has a molecular weight of 302.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 25236533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).