3,3-dicyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C13H18N2O2 — CID 47426827

IUPAC3,3-dicyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CC(C2CC2)C2CC2)no1
InChIInChI=1S/C13H18N2O2/c1-8-6-12(15-17-8)14-13(16)7-11(9-2-3-9)10-4-5-10/h6,9-11H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyCWDKWJFVCXCLCK-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.75
Rot. Bonds5

About 3,3-dicyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3,3-dicyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 47426827) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3,3-dicyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3,3-dicyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID47426827
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3,3-dicyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CC(C2CC2)C2CC2)no1
InChIInChI=1S/C13H18N2O2/c1-8-6-12(15-17-8)14-13(16)7-11(9-2-3-9)10-4-5-10/h6,9-11H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyCWDKWJFVCXCLCK-UHFFFAOYSA-N
XLogP2.75
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dicyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3,3-dicyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 47426827) is 3,3-dicyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3,3-dicyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3,3-dicyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CC(C2CC2)C2CC2)no1.
What is the InChIKey of 3,3-dicyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is CWDKWJFVCXCLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8-6-12(15-17-8)14-13(16)7-11(9-2-3-9)10-4-5-10/h6,9-11H,2-5,7H2,1H3,(H,14,15,16).
What are the key properties of 3,3-dicyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3,3-dicyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 234.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dicyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 47426827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).