N-methyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide

C12H23N5O2 — CID 106971369

IUPACN-methyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide
SMILESCCCN(CC(=O)NC)c1nnc(CNC(C)C)o1
InChIInChI=1S/C12H23N5O2/c1-5-6-17(8-10(18)13-4)12-16-15-11(19-12)7-14-9(2)3/h9,14H,5-8H2,1-4H3,(H,13,18)
InChIKeyDFYAAOBLQICZTA-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.53
Rot. Bonds8

About N-methyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide

N-methyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide (PubChem CID 106971369) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-methyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide
PubChem CID106971369
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC NameN-methyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide
SMILESCCCN(CC(=O)NC)c1nnc(CNC(C)C)o1
InChIInChI=1S/C12H23N5O2/c1-5-6-17(8-10(18)13-4)12-16-15-11(19-12)7-14-9(2)3/h9,14H,5-8H2,1-4H3,(H,13,18)
InChIKeyDFYAAOBLQICZTA-UHFFFAOYSA-N
XLogP0.53
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide?
The IUPAC name of N-methyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide (CID 106971369) is N-methyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide.
What is the SMILES notation for N-methyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide?
The canonical SMILES for N-methyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide is CCCN(CC(=O)NC)c1nnc(CNC(C)C)o1.
What is the InChIKey of N-methyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide?
The InChIKey is DFYAAOBLQICZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-5-6-17(8-10(18)13-4)12-16-15-11(19-12)7-14-9(2)3/h9,14H,5-8H2,1-4H3,(H,13,18).
What are the key properties of N-methyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide?
N-methyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide has a molecular weight of 269.35 g/mol, XLogP of 0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide is sourced from PubChem (CID 106971369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).