3-cyano-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dipropylpropanamide

C15H23N3O2 — CID 82139200

IUPAC3-cyano-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CC(C#N)c1c(C)noc1C
InChIInChI=1S/C15H23N3O2/c1-5-7-18(8-6-2)14(19)9-13(10-16)15-11(3)17-20-12(15)4/h13H,5-9H2,1-4H3
InChIKeyIDBRGZFTVMFWES-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.94
Rot. Bonds7

About 3-cyano-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dipropylpropanamide

3-cyano-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dipropylpropanamide (PubChem CID 82139200) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-cyano-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-cyano-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dipropylpropanamide
PubChem CID82139200
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-cyano-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CC(C#N)c1c(C)noc1C
InChIInChI=1S/C15H23N3O2/c1-5-7-18(8-6-2)14(19)9-13(10-16)15-11(3)17-20-12(15)4/h13H,5-9H2,1-4H3
InChIKeyIDBRGZFTVMFWES-UHFFFAOYSA-N
XLogP2.94
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dipropylpropanamide?
The IUPAC name of 3-cyano-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dipropylpropanamide (CID 82139200) is 3-cyano-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-cyano-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dipropylpropanamide?
The canonical SMILES for 3-cyano-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CC(C#N)c1c(C)noc1C.
What is the InChIKey of 3-cyano-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dipropylpropanamide?
The InChIKey is IDBRGZFTVMFWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-7-18(8-6-2)14(19)9-13(10-16)15-11(3)17-20-12(15)4/h13H,5-9H2,1-4H3.
What are the key properties of 3-cyano-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dipropylpropanamide?
3-cyano-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dipropylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dipropylpropanamide is sourced from PubChem (CID 82139200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).