N-(4-tert-butyl-1,3-oxazol-2-yl)-2-cyclopropylpropanamide

C13H20N2O2 — CID 167992732

IUPACN-(4-tert-butyl-1,3-oxazol-2-yl)-2-cyclopropylpropanamide
SMILESCC(C(=O)Nc1nc(C(C)(C)C)co1)C1CC1
InChIInChI=1S/C13H20N2O2/c1-8(9-5-6-9)11(16)15-12-14-10(7-17-12)13(2,3)4/h7-9H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyHCEWHLXGQLBYCJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.96
Rot. Bonds3

About N-(4-tert-butyl-1,3-oxazol-2-yl)-2-cyclopropylpropanamide

N-(4-tert-butyl-1,3-oxazol-2-yl)-2-cyclopropylpropanamide (PubChem CID 167992732) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-oxazol-2-yl)-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-oxazol-2-yl)-2-cyclopropylpropanamide
PubChem CID167992732
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(4-tert-butyl-1,3-oxazol-2-yl)-2-cyclopropylpropanamide
SMILESCC(C(=O)Nc1nc(C(C)(C)C)co1)C1CC1
InChIInChI=1S/C13H20N2O2/c1-8(9-5-6-9)11(16)15-12-14-10(7-17-12)13(2,3)4/h7-9H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyHCEWHLXGQLBYCJ-UHFFFAOYSA-N
XLogP2.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-oxazol-2-yl)-2-cyclopropylpropanamide?
The IUPAC name of N-(4-tert-butyl-1,3-oxazol-2-yl)-2-cyclopropylpropanamide (CID 167992732) is N-(4-tert-butyl-1,3-oxazol-2-yl)-2-cyclopropylpropanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-oxazol-2-yl)-2-cyclopropylpropanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-oxazol-2-yl)-2-cyclopropylpropanamide is CC(C(=O)Nc1nc(C(C)(C)C)co1)C1CC1.
What is the InChIKey of N-(4-tert-butyl-1,3-oxazol-2-yl)-2-cyclopropylpropanamide?
The InChIKey is HCEWHLXGQLBYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(9-5-6-9)11(16)15-12-14-10(7-17-12)13(2,3)4/h7-9H,5-6H2,1-4H3,(H,14,15,16).
What are the key properties of N-(4-tert-butyl-1,3-oxazol-2-yl)-2-cyclopropylpropanamide?
N-(4-tert-butyl-1,3-oxazol-2-yl)-2-cyclopropylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-oxazol-2-yl)-2-cyclopropylpropanamide is sourced from PubChem (CID 167992732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).