2-amino-N-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]acetamide

C9H13N5O3 — CID 61254463

IUPAC2-amino-N-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C9H13N5O3/c10-3-6(15)11-4-7(16)12-9-14-13-8(17-9)5-1-2-5/h5H,1-4,10H2,(H,11,15)(H,12,14,16)
InChIKeyJOJLQAVSHDJZDB-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.04
Rot. Bonds5

About 2-amino-N-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]acetamide

2-amino-N-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]acetamide (PubChem CID 61254463) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-amino-N-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]acetamide
PubChem CID61254463
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name2-amino-N-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C9H13N5O3/c10-3-6(15)11-4-7(16)12-9-14-13-8(17-9)5-1-2-5/h5H,1-4,10H2,(H,11,15)(H,12,14,16)
InChIKeyJOJLQAVSHDJZDB-UHFFFAOYSA-N
XLogP-1.04
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]acetamide (CID 61254463) is 2-amino-N-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]acetamide is NCC(=O)NCC(=O)Nc1nnc(C2CC2)o1.
What is the InChIKey of 2-amino-N-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]acetamide?
The InChIKey is JOJLQAVSHDJZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c10-3-6(15)11-4-7(16)12-9-14-13-8(17-9)5-1-2-5/h5H,1-4,10H2,(H,11,15)(H,12,14,16).
What are the key properties of 2-amino-N-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]acetamide?
2-amino-N-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]acetamide has a molecular weight of 239.23 g/mol, XLogP of -1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 61254463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).