N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide

C11H17N3O3 — CID 813652

IUPACN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide
SMILESCCCN(CC(=O)Nc1ccon1)C(=O)CC
InChIInChI=1S/C11H17N3O3/c1-3-6-14(11(16)4-2)8-10(15)12-9-5-7-17-13-9/h5,7H,3-4,6,8H2,1-2H3,(H,12,13,15)
InChIKeyZHPYUKGWOVBSGP-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.26
Rot. Bonds6

About N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide (PubChem CID 813652) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide.

Molecular Properties

Compound NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide
PubChem CID813652
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide
SMILESCCCN(CC(=O)Nc1ccon1)C(=O)CC
InChIInChI=1S/C11H17N3O3/c1-3-6-14(11(16)4-2)8-10(15)12-9-5-7-17-13-9/h5,7H,3-4,6,8H2,1-2H3,(H,12,13,15)
InChIKeyZHPYUKGWOVBSGP-UHFFFAOYSA-N
XLogP1.26
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide?
The IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide (CID 813652) is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide.
What is the SMILES notation for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide?
The canonical SMILES for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide is CCCN(CC(=O)Nc1ccon1)C(=O)CC.
What is the InChIKey of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide?
The InChIKey is ZHPYUKGWOVBSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-6-14(11(16)4-2)8-10(15)12-9-5-7-17-13-9/h5,7H,3-4,6,8H2,1-2H3,(H,12,13,15).
What are the key properties of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide?
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide has a molecular weight of 239.27 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide is sourced from PubChem (CID 813652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).