N-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxoethyl]propanamide

C11H18N4O3 — CID 91833324

IUPACN-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)NC(CC)c1nc(C)no1
InChIInChI=1S/C11H18N4O3/c1-4-8(11-13-7(3)15-18-11)14-10(17)6-12-9(16)5-2/h8H,4-6H2,1-3H3,(H,12,16)(H,14,17)
InChIKeyQFAJDDNNDCEHBK-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.47
Rot. Bonds6

About N-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxoethyl]propanamide

N-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxoethyl]propanamide (PubChem CID 91833324) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxoethyl]propanamide
PubChem CID91833324
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)NC(CC)c1nc(C)no1
InChIInChI=1S/C11H18N4O3/c1-4-8(11-13-7(3)15-18-11)14-10(17)6-12-9(16)5-2/h8H,4-6H2,1-3H3,(H,12,16)(H,14,17)
InChIKeyQFAJDDNNDCEHBK-UHFFFAOYSA-N
XLogP0.47
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxoethyl]propanamide?
The IUPAC name of N-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxoethyl]propanamide (CID 91833324) is N-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxoethyl]propanamide.
What is the SMILES notation for N-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxoethyl]propanamide?
The canonical SMILES for N-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxoethyl]propanamide is CCC(=O)NCC(=O)NC(CC)c1nc(C)no1.
What is the InChIKey of N-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxoethyl]propanamide?
The InChIKey is QFAJDDNNDCEHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-4-8(11-13-7(3)15-18-11)14-10(17)6-12-9(16)5-2/h8H,4-6H2,1-3H3,(H,12,16)(H,14,17).
What are the key properties of N-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxoethyl]propanamide?
N-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxoethyl]propanamide has a molecular weight of 254.29 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxoethyl]propanamide is sourced from PubChem (CID 91833324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).